CECC - Centro de Engenharia e Ciências Computacionais

• Processo: 13/08293-7
• Linha de fomento: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
• Vigência: 01 de junho de 2013 - 31 de maio de 2024
• Área do conhecimento: Interdisciplinar - Química - Físico-química
• Pesquisador responsável: Munir Salomao Skaf
• Beneficiário: Munir Salomao Skaf
• Instituição-sede: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brasil
• Pesquisadores principais: Claudia Maria Bauzer Medeiros ; Douglas Soares Galvão ; Edson Borin ; Euclides de Mesquita Neto ; Guido Costa Souza de Araújo ; Leandro Martinez ; Martin Tygel ; Paulo Sollero ; Renato Pavanello ; Rodolfo Jardim de Azevedo ; William Roberto Wolf
• Pesq. associados: Alex Antonelli ; Daniel Laria ; Dario Estrin ; Gonçalo Amarante Guimarães Pereira ; Guilherme Pimentel Telles ; Julio Cesar dos Reis ; Marcelo Falsarella Carazzolle ; Martin Schanz ; Maurice de Koning ; Nelson Henrique Morgon ; Peter Jacob Rossky ; Rogério Custodio ; Sandra Eliza Fontes de Avila ; Vera Nisaka Solferini ; Victor Salvador Batista ; Zanoni Dias
• Auxílios(s) vinculado(s): 19/17874-0 - EMU concedido no Proc. 2013/08293-7, KAHUNA upgrade - HPE Apollo Gen10 Supercomputer, AP.EMU; 19/07470-9 - Processamento geo-espacial de streams de internet das coisas na agricultura digital: sistemas de bancos de dados de atores, AP.R SPRINT; 17/50155-1 - Textured nanostructured based devices for energy and sensing applications, AP.R SPRINT; + mais auxílios vinculados 17/11538-2 - Modelagem multi-escala de músculos artificiais baseados em nanotubos de carbono, AV.BR; 13/50376-7 - Applying speculative parallelism and feedback-directed optimization to improve performance, AP.R; 13/50381-0 - In silico screening and understanding of advanced nano-materials for molecular capture related to clean energy applications, AP.R - menos auxílios vinculados
• Bolsa(s) vinculada(s): 20/07391-9 - Otimização topológica de dispositivos piezoelétricos utilizando metamateriais piezocompósitos, BP.DR; 20/08475-1 - Aumentando eficiência de paralelismo de tarefas em clusters de GPUs para aplicações científicas, BP.DR; 19/19619-7 - Geração ilimitada de imagens de lesões de pele usando redes generativas adversariais, BP.DR; + mais bolsas vinculadas 20/04549-0 - Efeitos de solvente na termodinâmica do enovelamento de proteínas, BP.DR; 20/04916-3 - Efeitos de íon comum e múltiplos eletrólitos na solvatação de proteínas por líquidos iônicos, BP.DR; 19/19389-1 - Interoperabilidade semântica de conjuntos de dados científicos, BP.PD; 19/26196-5 - Simulações de grandes escalas de turbinas axiais supersônicas, BP.DR; 19/25588-7 - Modelagem multiescala e otimização de implantes ósseos fabricados por manufatura aditiva de material compósito utilizando o método dos elementos de contorno e dinâmica molecular, BP.DR; 19/19662-0 - Arquitetura mesoscópica de fibras lignocelulósicas, BP.PD; 19/12914-3 - Análises integradas de ômicas e simulações de redes metabólicas aplicadas a Saccharomyces cerevisiae para produção de etanol de segunda geração, BP.PD; 19/24041-4 - #PraCegoVer: audiodescrição automática de imagens, BP.IC; 19/15018-9 - Estudo multi-escala de músculos artificiais baseados em nanotubos de carbono, BP.PD; 19/15105-9 - Estudo Multi-escala da Armazenagem de Hidrogênio em MOFs (Metal-Organic Frameworks), BP.PD; 19/17007-4 - Modelagem de enzimas e complexos proteicos associados com a degradação de celulose, BP.PD; 19/19179-7 - Estratégias de controle de escoamentos aplicadas a escoamentos não estacionários com transição e turbulência, BP.DR; 19/19237-7 - Explorando as potencialidades de redes neurais artificiais na concepção topológica de metamateriais, BP.DR; 19/12792-5 - Algoritmos, métodos e ferramentas para migrar aplicações de alto desempenho de ciência e engenharia para a nuvem computacional, BP.PD; 19/17373-0 - Estudos computacionais de enzimas ativas em carboidratos e interações de celulose com compostos de matriz de paredes celulares de plantas, BP.DR; 19/17350-0 - Modelagem molecular de enzimas ativas sobre carboidratos, BP.DR; 19/17371-8 - Dinâmica molecular de enzimas para sacarificação glicanos, BP.DR; 19/12783-6 - Migração eficiente de aplicações científicas e de engenharia de alto desempenho para a nuvem, BP.DR; 19/05393-7 - Maximização de frequências naturais e da separação de frequências de estruturas contínuas por um método de otimização topológica evolucionária, BP.DD; 19/04536-9 - Melhorando o desempenho do cálculo da seção de choque transversal através de anotações de componentes, BP.DR; 18/11352-9 - Propriedades estruturais, mecânicas e de transporte de schwarzitas, BP.DR; 18/13262-7 - Estudo computacional da solvatação de sacarídeos usando funções de distribuição de mínima-distância, BP.IC; 18/00075-4 - Otimização topológica de materiais piezoelétricos periódicos para coletores de energia, BP.MS; 17/18512-9 - Mapa de energia livre de adsorção de gases em redes metalorgânicas (MOFs) e outras nanoestruturas complexas, BP.PD; 17/24003-0 - Anotação de qualidade para execução de experimentos usando workflows, BP.IC; 17/09127-4 - Difusão de Mensagens Totalmente Ordenadas Assistida por Hardware, BP.PD; 17/15236-0 - Uma Arquitetura em FGPA para Aceleração de Algoritmos de Programação Estocástica, BP.DR; 17/05814-7 - Nanoreptação: um estudo por dinâmica molecular, BP.IC; 17/14119-0 - Implementação e desenvolvimento de estratégias de computação de alto desempenho aplicadas para a solução de problemas determinísticos e não determinísticos das ciências exatas e das engenharias, BP.TT; 17/05822-0 - Design de estruturas bidimensionais de carbono e nitrogênio com o uso de algoritmos genéticos, BP.IC; 16/23477-5 - Estados quaternários do CBM64 e suas interações com substratos Polisacarídicos, BP.PD; 16/18499-0 - Investigação de propriedades estruturais, mecânicas e funcionais de nanoestruturas de carbono, BP.PD; 15/26434-2 - Estudo das Proriedades eletrônicas, estruturais e de transporte de materiais para aplicações termoelétricas através de cálculos ab initio, BP.PD; 16/19115-0 - Métodos tomográficos 2D e 3D baseados em parâmetros CRS, BP.DR; 16/19364-0 - Apoio à área de Educação e Difusão do CEPID CCES, acompanhamento e registro das atividades do projeto ACES, BP.TT; 16/15337-9 - Memória Transacional Distribuída e Modelos Eficientes de Distribuição de Dados para Acelerar Aplicações com Estruturas de Dados Irregulares., BP.DR; 16/04829-8 - Simulação computacional e modelagem de enzimas modificadoras de carbohidratos, proteínas de suporte e substratos lignocelulósicos, BP.PD; 16/02086-8 - Propriedades estruturais, mecânicas e térmicas de nanoespumas, BP.IC; 16/04963-6 - Dinâmica molecular de hidrólise enzimática de celulose e simulações de QM/MM de reações químicas em sistemas biomoleculares, BP.PD; 15/25031-1 - Dinâmica molecular de enzimas modificadores de de carbohidratos para desconstrução e valorização de biomassa lignocelulósica, BP.DR; 15/13667-9 - Estudos de sistemas multiméricos de proteínas através de cross-linking, espectrometria de massas e modelagem molecular, BP.PD; 15/25013-3 - Desenvolvimento de conteúdo multimídia da área de matemática para estudantes do ensino médio, BP.TT; 15/14703-9 - Investigação teórica de propriedades estruturais e mecânicas de MOFs (metal-organic frameworks), BP.PD; 15/18607-4 - Otimização topológica estrutural aplicada em problemas multi-físicos considerando materiais porosos, BP.PD; 15/03155-0 - Propriedades de membranas funcionalizadas de carbono bifenileno, BP.IC; 15/05417-2 - Desenvolvimento e atualização de conteúdos para o website do CECC, assessoria em redes sociais, produção de informativos para público interno e externo, participação na organização de eventos., BP.TT; 15/03481-5 - Implementação e desenvolvimento de estratégias de computação de alto desempenho aplicadas para a solução de problemas determinísticos e não determinísticos das ciências exatas e das engenharias, BP.TT; 14/25694-8 - Paralelização de laços usando map-reduce na nuvem para cargas de trabalho científicas, BP.PD; 15/03803-2 - Desenvolvimento de Conteúdos Multimídia da área de Matemática para estudantes do Ensino Médio., BP.TT; 14/07502-4 - Metodologia educacional para promoção do aprendizado ativo através do suporte ao conteúdo dinâmico de aula, BP.PD; 14/24547-1 - Investigação teórica de propriedades de crescimento e fratura de nanoestruturas baseadas em grafeno, BP.PD; 14/23861-4 - Modelagem de experimentos em eScience usando workflows científicos e ontologias visando reprodutibilidade e reuso, BP.DR; 14/17925-0 - Ambientes de execução de software eficientes para arquiteturas com memória universal, BP.PD; 14/12833-0 - Dinâmica molecular de hidrólise enzimática de celulose e outros estudos por QM/MM de reações químicas em sistemas biomoleculares, BP.PD; 14/09638-0 - Montagem e análises comparativas de genomas dos fungos fitopatógenos Moniliophthora (Agaricales, Basidiomycota) obtidos por sequenciamento de larga escala, usando métodos computacionais de alta performance, BP.PD; 14/10448-1 - Aspectos moleculares da arquitetura de paredes celulares de plantas, BP.PD; 14/10930-8 - Implementação e desenvolvimento de estratégias de computação de alto desempenho aplicadas para a solução de problemas determinísticos e não determinísticos das ciências exatas e das engenharias, BP.TT; 14/03840-2 - Suporte arquitetural para execução especulativa de programas, BP.PD; 13/22360-9 - Estudo computacional do mecanismo de conversão de ATP a AMP-cíclico catalisada pelo Fator de Edema do Antraz, BP.PD; 13/26411-7 - Implementação e desenvolvimento de estratégias de computação de alto desempenho aplicadas para a solução de problemas determinísticos e não determinísticos das Ciências Exatas e das Engenharias, BP.TT; 13/23804-8 - Investigação Teórica de Propriedades de Crescimento e Fratura de Nanoestruturas Baseadas em Grafeno, BP.PD; 13/25979-0 - Propriedades estruturais, mecânicas e de transporte de nanoestruturas baseadas em grafinos, BP.PD; 13/24500-2 - Propriedades Estruturais e Dinâmicas de Nanogotas, BP.DR; 13/13808-6 - Investigação de Propriedades Estruturais, Mecânicas e Funcionais de Nanoestruturas de Carbono, BP.PD; 13/17468-5 - Design de Superfícies 'Inteligentes' com Molhabilidade Controlada, BP.DR; 13/15582-5 - Dinâmica molecular em múltiplas escalas de glicosídeo hidrolases e substratos lignocelulósicos, BP.PD; 11/13259-7 - Propriedades estruturais, mecânicas e de transporte de grafeno e estruturas relacionadas, BP.PD - menos bolsas vinculadas
• Assunto(s): Modelagem molecular Biologia computacional Biofísica Geofísica e-Science

Resumo

Propõe-se a criação de um centro multidisciplinar de alto nível, dedicado ao desenvolvimento e aplicação de métodos computacionais avançados e que venha solucionar problemas de fronteira nas ciências e engenharias, bem como promover avanços substantivos em inovação tecnológica e difusão desta área do conhecimento, a qual tem sido denominada e-Science. O "Centro de Engenharia e Ciências Computacionais" (CECC) deverá ser sediado na Universidade Estadual de Campinas em prédio próprio, que inclui um auditório para 160 pessoas, salas, e ambientes adequados para abrigar equipamentos computacionais, a ser construído com recursos provenientes de um projeto recém-aprovado na chamada CT-Infra da FINEP, complementados por recursos da Universidade, totalizando R$ 6.634.400,00. O Centro congrega pesquisadores de elevado nível científico dos Institutos de Biologia, Computação, Física, Matemática, Química e Engenharia Mecânica da Unicamp, e tem a modelagem computacional de alto desempenho como agente unificador de sua temática e foco científico. A proposta conta também com a participação de cinco pesquisadores de renome das Universidades do Texas e Yale, nos Estados Unidos, Universidade de Graz, na Áustria, e da Universidade de Buenos Aires, Argentina. O Centro constituirá um ambiente unificado de excelência, pioneiro no Brasil, visando multiplicar as competências atuais na área de simulação e modelagem computacional e a promoção efetiva da interação entre seus integrantes para a solução de novos desafios científicos em temas como nanomateriais, sistemas biomoleculares de interesse à saúde humana e bioenergia, bioinformática, sistemas particulados e semi-particulados, meios porosos, meios contínuos, e geofísica computacional, pelos quais permeia o desenvolvimento de técnicas avançadas de processamento paralelo e arquiteturas multi-core. O Centro deverá atuar estimulando e criando condições para a interação com setores produtivos. a geração de inovação e a difusão do conhecimento através de seus núcleos de Transferência e Inovação Tecnológica e de Difusão e Educação. (AU)

Publicações científicas

(310)

(Referências obtidas automaticamente do Web of Science e do SciELO, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores)

CARLOS, THAYRINE DIAS; BEZERRA, LEYDIANE BARBOSA; VIEIRA, MAYANE MARQUES; SARMENTO, RENATO ALMEIDA; PEREIRA, DOUGLAS HENRIQUE; CAVALLINI, GRASIELE SOARES. Fenton-type process using peracetic acid: Efficiency, reaction elucidations and ecotoxicity. JOURNAL OF HAZARDOUS MATERIALS, v. 403, FEB 5 2021. Citações Web of Science: 0.

FONSECA, ALEXANDRE F.; GALVAO, DOUGLAS S. Graphene-based nanoscale version of da Vinci's reciprocal structures. COMPUTATIONAL MATERIALS SCIENCE, v. 187, FEB 1 2021. Citações Web of Science: 0.

MOREIRA, FARNEY COUTINHO; WOLF, WILLIAM ROBERTO; AZEVEDO, JOAO LUIZ F. Thermal analysis of hypersonic flows of carbon dioxide and air in thermodynamic non-equilibrium. INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, v. 165, n. A FEB 2021. Citações Web of Science: 0.

MORGON, NELSON H.; DE SOUZA, AGUINALDO R. 8(19) molecular knot: a theoretical analysis of the electronic structure using an ONIOM approach. Journal of Molecular Modeling, v. 27, n. 2 FEB 2021. Citações Web of Science: 0.

ORENHA, RENATO PEREIRA; SILVA, GRAZIELE CAPPATO GUERRA; MORGON, NELSON HENRIQUE; CARAMORI, GIOVANNI FINOTO; PARREIRA, RENATO LUIS TAME. Can the relative positions (cis-trans) of ligands really modulate the coordination of NO in ruthenium nitrosyl complexes?. NEW JOURNAL OF CHEMISTRY, v. 45, n. 3, p. 1658-1666, JAN 21 2021. Citações Web of Science: 0.

TROMER, RAPHAEL M.; FELIX, LEVI C.; WOELLNER, CRISTIANO F.; GALVAO, DOUGLAS S. A DFT investigation of the electronic, optical, and thermoelectric properties of pentadiamond. Chemical Physics Letters, v. 763, JAN 16 2021. Citações Web of Science: 0.

CHAVES, ANDERSON S.; GONZALEZ-ROMERO, ROBERT LUIS; MELENDEZ, JUAN J.; ANTONELLI, ALEX. Investigating charge carrier scattering processes in anisotropic semiconductors through first-principles calculations: the case of p-type SnSe. Physical Chemistry Chemical Physics, v. 23, n. 2, p. 900-913, JAN 14 2021. Citações Web of Science: 0.

LOPES, HEITOR NIGRO; MAHFOUD, JARIR; PAVANELLO, RENATO. High natural frequency gap topology optimization of bi-material elastic structures and band gap analysis. STRUCTURAL AND MULTIDISCIPLINARY OPTIMIZATION, JAN 2021. Citações Web of Science: 0.

PICCOLI, VINICIUS; MARTINEZ, LEANDRO. Correlated counterion effects on the solvation of proteins by ionic liquids. JOURNAL OF MOLECULAR LIQUIDS, v. 320, n. A DEC 15 2020. Citações Web of Science: 0.

LASCANE, LEONARDO G.; OLIVEIRA, ELIEZER F.; GALVAO, DOUGLAS S.; BATAGIN-NETO, AUGUSTO. Polyfuran-based chemical sensors: Identification of promising derivatives via DFT calculations and fully atomistic reactive molecular dynamics. EUROPEAN POLYMER JOURNAL, v. 141, DEC 5 2020. Citações Web of Science: 0.

SIDARTA-OLIVEIRA, DAVI; JARA, CARLOS POBLETE; FERRUZZI, ADRIANO J.; SKAF, MUNIR S.; VELANDER, WILLIAM H.; ARAUJO, ELIANA P.; VELLOSO, LICIO A. SARS-CoV-2 receptor is co-expressed with elements of the kinin-kallikrein, renin-angiotensin and coagulation systems in alveolar cells. SCIENTIFIC REPORTS, v. 10, n. 1 NOV 11 2020. Citações Web of Science: 0.

SPERA, MARCELLE B. M.; FRANCO, LUIS F. M. Surface and confinement effects on the self-diffusion coefficients for methane-ethane mixtures within calcite nanopores. Fluid Phase Equilibria, v. 522, NOV 1 2020. Citações Web of Science: 0.

GIOVANI, PRISCILA A.; MARTINS, LUCIANE; SALMON, CRISTIANE R.; MOFATTO, LUCIANA S.; LEME, ADRIANA F. P.; PUPPIN-RONTANI, REGINA M.; KOLLI, TAMARA N.; FOSTER, BRIAN L.; NOCITI, JR., FRANCISCO H.; KANTOVITZ, KAMILA R. Comparative proteomic analysis of dental cementum from deciduous and permanent teeth. JOURNAL OF PERIODONTAL RESEARCH, v. 56, n. 1 NOV 2020. Citações Web of Science: 0.

LOPES GROTTO, CARLOS GUILHERME; GOMES COLARES, CARLA JOVANIA; LIMA, DANIEL RODRIGUES; PEREIRA, DOUGLAS HENRIQUE; DO VALE, AILTON TEIXEIRA. Energy potential of biomass from two types of genetically improved rice husks in Brazil: A theoretical-experimental study. BIOMASS & BIOENERGY, v. 142, NOV 2020. Citações Web of Science: 1.

MARTINS DO ROSARIO, VANDERSON; FAUSTINO DA SILVA, ANDERSON; APARECIDA SILVA CAMACHO, THAIS; NAPOLI, OTAVIO O.; BRETERNITZ, MAURICIO; BORIN, EDSON. Smart selection of optimizations in dynamic compilers. CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE, NOV 2020. Citações Web of Science: 0.

CHO, KYUNG HO; BORGES, D. DAMASCENO; LEE, U-HWANG; LEE, JI SUN; YOON, JI WOONG; CHO, SUNG JUNE; PARK, JAEDEUK; LOMBARDO, WALTER; MOON, DOHYUN; SAPIENZA, ALESSIO; MAURIN, GUILLAUME; CHANG, JONG-SAN. Rational design of a robust aluminum metal-organic framework for multi-purpose water-sorption-driven heat allocations. NATURE COMMUNICATIONS, v. 11, n. 1 OCT 9 2020. Citações Web of Science: 0.

PORTO, CAIO M.; MORGON, NELSON H. Analytical approach for the tunneling process in double well potentials using IRC calculations. COMPUTATIONAL AND THEORETICAL CHEMISTRY, v. 1187, OCT 1 2020. Citações Web of Science: 0.

DOS SANTOS, RAMIRO MARCELO; DE AGUIAR, ACRISIO LINS; MARTINS, JONATHAN DA ROCHA; DOS SANTOS, RENATO BATISTA; GALVAO, DOUGLAS SOARES; RIBEIRO JUNIOR, LUIZ ANTONIO. Structural and electronic properties of defective AlN/GaN hybrid nanostructures. COMPUTATIONAL MATERIALS SCIENCE, v. 183, OCT 2020. Citações Web of Science: 0.

OLIVEIRA, ELIEZER F.; MACHADO, LEONARDO D.; BAUGHMAN, RAY H.; GALVAO, DOUGLAS S. Three-dimensional carbon nanotube networks from beta zeolite templates: Thermal stability and mechanical properties. COMPUTATIONAL MATERIALS SCIENCE, v. 182, SEP 2020. Citações Web of Science: 0.

PEREIRA JUNIOR, MARCELO L.; RIBEIRO JUNIOR, LUIZ A.; BRANDAO, WJEFFERSON H. S.; AGUIAR, ACRISIO L.; GALVAO, DOUGLAS S.; DE SOUSA, JOSE M. Temperature Effects on the Fracture Dynamics and Elastic Properties of Popgraphene Membranes. ChemPhysChem, v. 21, n. 17 AUG 2020. Citações Web of Science: 0.

SOUSA, IRAN L.; PORTO, CAIO M.; BASSANI, KATIA C.; MARTINS, MILENE H.; PESSINE, FRANCISCO B. T.; MORGON, NELSON H. Preparation and Characterization of the beta-Cyclodextrin Inclusion Complex with Benzbromarone. Journal of the Brazilian Chemical Society, v. 31, n. 8, p. 1585-1596, AUG 2020. Citações Web of Science: 0.

TROMER, RAPHAEL M.; FELIX, LEVI C.; WOELLNER, CRISTIANO F.; GALVAO, DOUGLAS S. On the structural stability and optical properties of germanium-based schwarzites: a density functional theory investigation. Physical Chemistry Chemical Physics, v. 22, n. 28, p. 16286-16293, JUL 28 2020. Citações Web of Science: 0.

DOS SANTOS PEREIRA, ANNA KARLA; MANZANO, CARLOS MARROTE; NAKAHATA, DOUGLAS HIDEKI; TENORIO CLAVIJO, JUAN CARLOS; PEREIRA, DOUGLAS HENRIQUE; LUSTRI, WILTON ROGERIO; CORBI, PEDRO PAULO. Synthesis, crystal structures, DFT studies, antibacterial assays and interaction assessments with biomolecules of new platinum(ii) complexes with adamantane derivatives. NEW JOURNAL OF CHEMISTRY, v. 44, n. 27, p. 11546-11556, JUL 21 2020. Citações Web of Science: 0.

ORENHA, RENATO PEREIRA; GUERRA SILVA, GRAZIELE CAPPATO; DE LIMA BATISTA, ANA PAULA; SAMPAIO DE OLIVEIRA FILHO, ANTONIO GUSTAVO; MORGON, NELSON HENRIQUE; DA SILVA, VANESSA BORGES; PEREIRA FURTADO, SAULO SAMUEL; CARAMORI, GIOVANNI FINOTO; PIOTROWSKI, MAURICIO JEOMAR; TAME PARREIRA, RENATO LUIS. Tracking the role oftrans-ligands in ruthenium-NO bond lability: computational insight. NEW JOURNAL OF CHEMISTRY, v. 44, n. 27, p. 11448-11456, JUL 21 2020. Citações Web of Science: 0.

NEUMANN, LUCAS S. M.; DIAS, ARTUR H. S.; SKAF, MUNIR S. Molecular Modeling of Aquaporins from Leishmania major. Journal of Physical Chemistry B, v. 124, n. 28, p. 5825-5836, JUL 16 2020. Citações Web of Science: 0.

FELIX, LEVI C.; TROMER, RAPHAEL M.; AUTRETO, PEDRO A. S.; RIBEIRO JUNIOR, LUIZ A.; GALVAO, DOUGLAS S. On the Mechanical Properties and Thermal Stability of a Recently Synthesized Monolayer Amorphous Carbon. Journal of Physical Chemistry C, v. 124, n. 27, p. 14855-14860, JUL 9 2020. Citações Web of Science: 0.

CHIPARA, ALIN CRISTIAN; BRUNETTO, GUSTAVO; OZDEN, SEHMUS; HASPEL, HENRIK; KUMBHAKAR, PARTHA; KUKOVECZ, AKOS; KONYA, ZOLTAN; VAJTAI, ROBERT; CHIPARA, MIRCEA; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SHAKER; AJAYAN, PULICKEL M. Nature inspired solid-liquid phase amphibious adhesive. SOFT MATTER, v. 16, n. 25, p. 5854-5860, JUL 7 2020. Citações Web of Science: 0.

DAMASCENO, DANIELA A.; RAJAPAKSE, R. K. N. D. NIMAL; MESQUITA, EUCLIDES. Atomistic Modelling of Size-Dependent Mechanical Properties and Fracture of Pristine and Defective Cove-Edged Graphene Nanoribbons. NANOMATERIALS, v. 10, n. 7 JUL 2020. Citações Web of Science: 0.

LUCCA TOSI, MAURO DALLE; DOS REIS, JULIO CESAR. Understanding the evolution of a scientific field by clustering and visualizing knowledge graphs. JOURNAL OF INFORMATION SCIENCE, JUL 2020. Citações Web of Science: 0.

PORTO, CAIO M.; SANTANA, LUCAS C.; MORGON, NELSON H. W2SDD theory for computational thermochemistry: study of the addition of hydrogen halide to propene. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 7 JUN 23 2020. Citações Web of Science: 0.

YADAV, THAKUR PRASAD; WOELLNER, CRISTIANO F.; SHARIFI, TIVA; SINHA, SHYAM KANTA; QU, LU-LU; APTE, AMEY; MUKHOPADHYAY, N. K.; SRIVASTAVA, O. N.; VAJTAI, ROBERT; GALVAO, DOUGLAS SOARES; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Extraction of Two-Dimensional Aluminum Alloys from Decagonal Quasicrystals. ACS NANO, v. 14, n. 6, p. 7435-7443, JUN 23 2020. Citações Web of Science: 0.

GAVAZZONI, CRISTINA; SKAF, MUNIR S. Adsorption of CO(2)and CH(4)in MIL-47 investigated by the 3D-RISM molecular theory of solvation. Physical Chemistry Chemical Physics, v. 22, n. 23, p. 13240-13247, JUN 21 2020. Citações Web of Science: 0.

SANTOS-FLOREZ, PEDRO ANTONIO; DE KONING, MAURICE. Nonequilibrium processes in repulsive binary mixtures. Journal of Chemical Physics, v. 152, n. 23 JUN 21 2020. Citações Web of Science: 0.

DAMASCENO, D. A.; RAJAPAKSE, R. K. N. D.; MESQUITA, E.; PAVANELLO, R. Atomistic simulation of tensile strength properties of graphene with complex vacancy and topological defects. ACTA MECHANICA, v. 231, n. 8 JUN 2020. Citações Web of Science: 0.

REIS, DAVI TEXEIRA; DE AGUIAR FILHO, SILVIO QUINTINO; LOPES GROTTO, CARLOS GUILHERME; RIBEIRO BIHAIN, MURIELLY FERNANDA; PEREIRA, DOUGLAS HENRIQUE. Carboxymethylcellulose and cellulose xanthate matrices as potential adsorbent material for potentially toxic Cr3+, Cu2+ and Cd(2+)metal ions: a theoretical study. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 6 MAY 25 2020. Citações Web of Science: 0.

DOS SANTOS, RAMIRO MARCELO; DE SOUSA, LEONARDO EVARISTO; GALVAO, DOUGLAS SOARES; RIBEIRO JUNIOR, LUIZ ANTONIO. Tuning Penta-Graphene Electronic Properties Through Engineered Line Defects. SCIENTIFIC REPORTS, v. 10, n. 1 MAY 15 2020. Citações Web of Science: 0.

SIERRA-GARCIA, ISABEL NATALIA; BELGINI, DAIANE R. B.; TORRES-BALLESTEROS, ADRIANA; PAEZ-ESPINO, DAVID; CAPILLA, RAMSES; SANTOS NETO, V, EUGENIO; GRAY, NEIL; DE OLIVEIRA, VALERIA MAIA. In depth metagenomic analysis in contrasting oil wells reveals syntrophic bacterial and archaeal associations for oil biodegradation in petroleum reservoirs. Science of The Total Environment, v. 715, MAY 1 2020. Citações Web of Science: 0.

SANTOS, CAMILA R.; COSTA, PEDRO A. C. R.; VIEIRA, PLINIO S.; GONZALEZ, SINKLER E. T.; CORREA, THAMY L. R.; LIMA, EVANDRO A.; MANDELLI, FERNANDA; PIROLLA, RENAN A. S.; DOMINGUES, MARIANE N.; CABRAL, LUCELIA; MARTINS, MARCELE P.; CORDEIRO, ROSA L.; JUNIOR, ATILIO T.; SOUZA, BEATRIZ P.; PRATES, ERICA T.; GOZZO, FABIO C.; PERSINOTI, GABRIELA F.; SKAF, MUNIR S.; MURAKAMI, MARIO T. Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nature Chemical Biology, v. 16, n. 8 MAY 2020. Citações Web of Science: 1.

SANTOS-FLOREZ, PEDRO ANTONIO; RUESTES, CARLOS J.; DE KONING, MAURICE. Atomistic Simulation of Nanoindentation of Ice I-h. Journal of Physical Chemistry C, v. 124, n. 17, p. 9329-9336, APR 30 2020. Citações Web of Science: 0.

GALVIS, ANDRES F.; SANTOS-FLOREZ, PEDRO A.; SOLLERO, PAULO; DE KONING, MAURICE; WROBEL, LUIZ C. Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates. COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING, v. 362, n. SI APR 15 2020. Citações Web of Science: 0.

RIBEIRO, INGRID DE ALMEIDA; DE KONING, MAURICE. Non-Newtonian flow effects in supercooled water. PHYSICAL REVIEW RESEARCH, v. 2, n. 2 APR 6 2020. Citações Web of Science: 0.

JOYNER, JARIN; OLIVEIRA, ELIEZER F.; YAMAGUCHI, HISATO; KATO, KEIKO; VINOD, SOUMYA; GALVAO, DOUGLAS S.; SALPEKAR, DEVASHISH; ROY, SOUMYABRATA; MARTINEZ, ULISES; TIWARY, CHANDRA S.; OZDEN, SEHMUS; AJAYAN, PULICKEL M. Graphene Supported MoS2 Structures with High Defect Density for an Efficient HER Electrocatalysts. ACS APPLIED MATERIALS & INTERFACES, v. 12, n. 11, p. 12629-12638, MAR 18 2020. Citações Web of Science: 1.

LEONARDO VIANA DAS CHAGAS LIMA; NELSON HENRIQUE MORGON. ANÁLISE GRÁFICA DO DESEMPENHO DE MÉTODOS COMPUTACIONAIS NO ESTUDO DE PROPRIEDADES TERMOQUÍMICAS. Química Nova, v. 43, n. 3, p. 291-299, Mar. 2020.

SANTOS, THIAGO T.; DE SOUZA, LEONARDO L.; DOS SANTOS, ANDREZA A.; AVILA, SANDRA. Grape detection, segmentation, and tracking using deep neural networks and three-dimensional association. COMPUTERS AND ELECTRONICS IN AGRICULTURE, v. 170, MAR 2020. Citações Web of Science: 4.

REGO, JESSICA SANTOS; DE KONING, MAURICE. Density-functional theory prediction of the elastic constants of ice I-h. Journal of Chemical Physics, v. 152, n. 8 FEB 28 2020. Citações Web of Science: 0.

ALVAREZ-DONADO, REND; ANTONELLI, ALEX. Splitting up entropy into vibrational and configurational contributions in bulk metallic glasses: A thermodynamic approach. PHYSICAL REVIEW RESEARCH, v. 2, n. 1 FEB 25 2020. Citações Web of Science: 0.

FELIX, LEVI C.; WOELLNER, CRISTIANO F.; GALVAO, DOUGLAS S. Mechanical and energy-absorption properties of schwarzites. Carbon, v. 157, p. 670-680, FEB 2020. Citações Web of Science: 4.

LOPEZ, ALVARO J.; BARROS, EMILIA P.; MARTINEZ, LEANDRO. On the Interpretation of subtilisin Carlsberg Time-Resolved Fluorescence Anisotropy Decays: Modeling with Classical Simulations. JOURNAL OF CHEMICAL INFORMATION AND MODELING, v. 60, n. 2, p. 747-755, FEB 2020. Citações Web of Science: 1.

NAKAR, DEKEL; GORDEEV, GEORGY; MACHADO, LEONARDO D.; POPOVITZ-BIRO, RONIT; RECHAV, KATYA; OLIVEIRA, ELIEZER F.; KUSCH, PATRYK; JORIO, ADO; GALVAO, DOUGLAS S.; REICH, STEPHANIE; JOSELEVICH, ERNESTO. Few-Wall Carbon Nanotube Coils. Nano Letters, v. 20, n. 2, p. 953-962, FEB 2020. Citações Web of Science: 0.

DA ROCHA, NICOLA LEONE; CUSTODIO, ROGERIO. On the role of vibrational selective scaling for the calculation of enthalpies of formation using a composite method. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 2 JAN 31 2020. Citações Web of Science: 0.

ORENHA, RENATO PEREIRA; MORGON, NELSON HENRIQUE; CONTRERAS-GARCIA, JULIA; SILVA, GRAZIELE CAPPATO GUERRA; NAGURNIAK, GLAUCIO REGIS; PIOTROWSKI, MAURICIO JEOMAR; CARAMORI, GIOVANNI FINOTO; MUNOZ-CASTRO, ALVARO; PARREIRA, RENATO LUIS TAME. How does the acidic milieu interfere in the capability of ruthenium nitrosyl complexes to release nitric oxide?. NEW JOURNAL OF CHEMISTRY, v. 44, n. 3, p. 773-779, JAN 21 2020. Citações Web of Science: 0.

DE OLIVEIRA, IVAN PIRES; MARTINEZ, LEANDRO. The shift in urea orientation at protein surfaces at low pH is compatible with a direct mechanism of protein denaturation. Physical Chemistry Chemical Physics, v. 22, n. 1, p. 354-367, JAN 7 2020. Citações Web of Science: 0.

ALCANTARA, AMADEUS C. S.; ASSIS, ISRAEL; PRADA, DANIEL; MEHLE, KONRAD; SCHWAN, STEFAN; COSTA-PAIVA, LUCIA; SKAF, MUNIR S.; WROBEL, LUIZ C.; SOLLERO, PAULO. Patient-Specific Bone Multiscale Modelling, Fracture Simulation and Risk Analysis-A Survey. MATERIALS, v. 13, n. 1 JAN 1 2020. Citações Web of Science: 0.

DA SILVA, WESLEY PEREIRA; CARLOS, THAYRINE DIAS; CAVALLINI, GRASIELE SOARES; PEREIRA, DOUGLAS HENRIQUE. Peracetic acid: Structural elucidation for applications in wastewater treatment. WATER RESEARCH, v. 168, JAN 1 2020. Citações Web of Science: 0.

DE SOUSA, J. M.; AUTRETO, P. A. S.; GALVAO, D. S. Hydrogenation Dynamics Process of Single-Wall Carbon Nanotube Twisted. Chemical Physics Letters, v. 739, JAN 2020. Citações Web of Science: 0.

RICCIARDI, TULIO R.; ARIAS-RAMIREZ, WALTER; WOLF, WILLIAM R. On secondary tones arising in trailing-edge noise at moderate Reynolds numbers. EUROPEAN JOURNAL OF MECHANICS B-FLUIDS, v. 79, p. 54-66, JAN-FEB 2020. Citações Web of Science: 0.

ROUT, ARPAN; GUMASTE, ANURAG; PANDEY, PRAFUL; OLIVEIRA, ELIEZER FERNANDO; DEMISS, SOLOMON; MAHESH, VAIKKARA PURUSHOTHAMAN; BHATT, CHINTAN; RAPHAEL, KIRAN; AYYAGARI, RAVI SASTRI; AUTRETO, PEDRO A. S.; PALIT, MITHUN; OLU, FEMI; GALVAO, DOUGLAS S.; ARORA, AMIT; TIWARY, CHANDRA SEKHAR. Bioinspired Aluminum Composite Reinforced with Soft Polymers with Enhanced Strength and Plasticity. ADVANCED ENGINEERING MATERIALS, v. 22, n. 3 JAN 2020. Citações Web of Science: 0.

ZUCATTI, VICTOR; LUI, HUGO F. S.; PITZ, DIOGO B.; WOLF, WILLIAM R. Assessment of reduced-order modeling strategies for convective heat transfer. NUMERICAL HEAT TRANSFER PART A-APPLICATIONS, v. 77, n. 7 JAN 2020. Citações Web of Science: 0.

IRAN L. SOUSA; CAIO M. PORTO; KÁTIA C. BASSANI; MILENE H. MARTINS; FRANCISCO B. T. PESSINE; NELSON H. MORGON. Preparation and Characterization of the β-Cyclodextrin Inclusion Complex with Benzbromarone. Journal of the Brazilian Chemical Society, v. 31, n. 8, p. 1585-1596, Ago. 2020.

OLIVEIRA, ELIEZER FERNANDO; BATAGIN-NETO, AUGUSTO; GALVAO, DOUGLAS SOARES. On the sulfur doping of gamma-graphdiyne: A Molecular Dynamics and DFT study. MRS ADVANCES, v. 5, n. 52-53, SI, p. 2701-2706, 2020. Citações Web of Science: 0.

TOVO, OTAVIO AUGUSTO; DO VALE LIMA, LUIS FILIPE; LABAKI, JOSUE; DAMASCENO, DANIELA ANDRADE; MESQUITA, EUCLIDES. Iterative coupling procedure applied to the transient response of dynamic soil-structure systems. LATIN AMERICAN JOURNAL OF SOLIDS AND STRUCTURES, v. 17, n. 8 2020. Citações Web of Science: 0.

ALEXANDRINO, ALEXSANDRO OLIVEIRA; OLIVEIRA, ANDRE RODRIGUES; DIAS, ULISSES; DIAS, ZANONI. On the Complexity of Some Variations of Sorting by Transpositions. JOURNAL OF UNIVERSAL COMPUTER SCIENCE, v. 26, n. 9, p. 1076-1094, 2020. Citações Web of Science: 0.

DE SOUSA, J. M.; WOELLNER, C. F.; MACHADO, L. D.; AUTRETO, P. A. S.; GALVAO, D. S. Carbon Nanotube Peapods Under High-Strain Rate Conditions: A Molecular Dynamics Investigation. MRS ADVANCES, v. 5, n. 33-34, SI, p. 1723-1730, 2020. Citações Web of Science: 0.

LASCANE, LEONARDO GOIS; OLIVEIRA, ELIEZER FERNANDO; BATAGIN-NETO, AUGUSTO. Polyfuran-based chemical sensors: reactivity analysis via Fukui indexes and reactive molecular dynamics. MRS ADVANCES, v. 5, n. 10, SI, p. 497-503, 2020. Citações Web of Science: 0.

LUIS FILIPE DO VALE LIMA; JOSUE LABAKI; EUCLIDES MESQUITA. STATIONARY DYNAMIC RESPONSE OF A CIRCULAR RIGID FOUNDATION PARTIALLY SUPPORTED BY A FLEXIBLE PILE AND INTERACTING WITH A HALF-SPACE. LATIN AMERICAN JOURNAL OF SOLIDS AND STRUCTURES, v. 17, n. 8, p. -, 2020. Citações Web of Science: 0.

OLIVEIRA, ELIEZER F.; MACHADO, LEONARDO D.; BAUGHMAN, RAY H.; GALVAO, DOUGLAS S. Zeolite-templated Carbon Network: A Beta Zeolite Case Study. MRS ADVANCES, v. 5, n. 14-15, SI, p. 751-756, 2020. Citações Web of Science: 0.

PARK, OK-KYUNG; OWUOR, PETER SAMORA; JAQUES, YGOR MORAIS; GALVAO, DOUGLAS SOARES; KIM, NAM HOON; LEE, JOONG HEE; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Hexagonal boron nitride-carbon nanotube hybrid network structure for enhanced thermal, mechanical and electrical properties of polyimide nanocomposites. COMPOSITES SCIENCE AND TECHNOLOGY, v. 188, 2020. Citações Web of Science: 0.

FONSECA, ALEXANDRE F.; DANTAS, SOCRATES O.; GALVAO, DOUGLAS S.; ZHANG, DIFAN; SINNOTT, SUSAN B. The structure of graphene on graphene/C-60/Cu interfaces: a molecular dynamics study. Nanotechnology, v. 30, n. 50 DEC 13 2019. Citações Web of Science: 0.

PRATES, ERICA TEIXEIRA; CROWLEY, MICHAEL F.; SKAF, MUNIR S.; BECKHAM, GREGG T. Catalytic Mechanism of Aryl-Ether Bond Cleavage in Lignin by LigF and LigG. Journal of Physical Chemistry B, v. 123, n. 48, p. 10142-10151, DEC 5 2019. Citações Web of Science: 0.

DE OLIVEIRA, IVAN PIRES; LESCANO, CAROLINE HONAISER; DE NUCCI, GILBERTO. In Silico Mapping of Essential Residues in the Catalytic Domain of PDE5 Responsible for Stabilization of Its Commercial Inhibitors. SCIENTIA PHARMACEUTICA, v. 87, n. 4 DEC 2019. Citações Web of Science: 0.

DE SOUSA, J. M.; BIZAO, R. A.; SOUSA FILHO, V. P.; AGUIAR, A. L.; COLUCI, V. R.; PUGNO, N. M.; GIRAO, E. C.; SOUZA FILHO, A. G.; GALVAO, D. S. Elastic properties of graphyne-based nanotubes. COMPUTATIONAL MATERIALS SCIENCE, v. 170, DEC 2019. Citações Web of Science: 3.

GAAL, VLADIMIR; RODRIGUES, VARLEI; DANTAS, SOCRATES O.; GALVAO, DOUGLAS S.; FONSECA, ALEXANDRE F. New Zero Poisson's Ratio Structures. PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, v. 14, n. 3 DEC 2019. Citações Web of Science: 0.

SAJADI, SEYED MOHAMMAD; WOELLNER, CRISTIANO F.; RAMESH, PRATHYUSH; EICHMANN, SHANNON L.; SUN, QIUSHI; BOUL, PETER J.; THAEMLITZ, CARL J.; RAHMAN, MUHAMMAD M.; BAUGHMAN, RAY H.; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. 3D Printed Tubulanes as Lightweight Hypervelocity Impact Resistant Structures. SMALL, v. 15, n. 52 DEC 2019. Citações Web of Science: 0.

RUBIO, MARCELO VENTURA; FANCHINI TERRASAN, CESAR RAFAEL; CONTESINI, FABIANO JARES; ZUBIETA, MARIANE PALUDETTI; GERHARDT, JAQUELINE ALINE; OLIVEIRA, LEANDRO CRISTANTE; DE SOUZA SCHMIDT GONCALVES, ANY ELISA; ALMEIDA, FAUSTO; SMITH, BRADLEY JOSEPH; MARTINS FERREIRA DE SOUZA, GUSTAVO HENRIQUE; SAMPAIO DIAS, ARTUR HERMANO; SKAF, MUNIR; DAMASIO, ANDRE. Redesigning N-glycosylation sites in a GH3 beta-xylosidase improves the enzymatic efficiency. BIOTECHNOLOGY FOR BIOFUELS, v. 12, n. 1 NOV 14 2019. Citações Web of Science: 0.

OLIVEIRA, ANDRE R.; JEAN, GERALDINE; FERTIN, GUILLAUME; DIAS, ULISSES; DIAS, ZANONI. Super short operations on both gene order and intergenic sizes. Algorithms for Molecular Biology, v. 14, n. 1 NOV 5 2019. Citações Web of Science: 0.

OLIVEIRA, ANDRE RODRIGUES; BRITO, KLAIRTON LIMA; DIAS, ULISSES; DIAS, ZANONI. On the Complexity of Sorting by Reversals and Transpositions Problems. JOURNAL OF COMPUTATIONAL BIOLOGY, v. 26, n. 11, p. 1223-1229, NOV 1 2019. Citações Web of Science: 1.

DOS SANTOS, RICARDO N.; BOTTINO, GUILHERME F.; GOZZO, FABIO C.; MORCOS, FARUCK; MARTINEZ, LEANDRO. Structural complementarity of distance constraints obtained from chemical cross-linking and amino acid coevolution. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, v. 88, n. 4 NOV 2019. Citações Web of Science: 0.

MALVIYA, KIRTIMAN D.; OLIVEIRA, ELIEZER F.; AUTRETO, PEDRO A. S.; AJAYAN, PULICKEL M.; GALVAO, DOUGLAS S.; TIWARY, CHANDRA S.; CHATTOPADHYAY, KAMANIO. Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study. JOURNAL OF PHYSICS D-APPLIED PHYSICS, v. 52, n. 44 OCT 30 2019. Citações Web of Science: 0.

DE AGUIAR FILHO, SILVIO QUINTINO; FERREIRA COSTA, ADAO MARCOS; SANTOS RIBEIRO, IGOR HERNANDES; CUSTODIO, ROGERIO; PEREIRA, DOUGLAS HENRIQUE. Theoretical study of the internal rotational barriers of fluorine, chlorine, bromine, and iodine-substituted ethanes. COMPUTATIONAL AND THEORETICAL CHEMISTRY, v. 1166, OCT 15 2019. Citações Web of Science: 0.

JAQUES, YGOR MORAIS; GALVAO, DOUGLAS SOARES. Spreading patterns of high velocity nanodroplets impacting on suspended graphene. JOURNAL OF MOLECULAR LIQUIDS, v. 292, OCT 15 2019. Citações Web of Science: 0.

WANG, RUN; FANG, SHAOLI; XIAO, YICHENG; GAO, ENLAI; JIANG, NAN; LI, YAOWANG; MOU, LINLIN; SHEN, YANAN; ZHAO, WUBIN; LI, SITONG; FONSECA, ALEXANDRE F.; GALVAO, DOUGLAS S.; CHEN, MENGMENG; HE, WENQIAN; YU, KAIQING; LU, HONGBING; WANG, XUEMIN; QIAN, DONG; ALIEV, ALI E.; LI, NA; HAINES, CARTER S.; LIU, ZHONGSHENG; MU, JIUKE; WANG, ZHONG; YIN, SHOUGEN; LIMA, MARCIO D.; AN, BAIGANG; ZHOU, XIANG; LIU, ZUNFENG; BAUGHMAN, RAY H. Torsional refrigeration by twisted, coiled, and supercoiled fibers. Science, v. 366, n. 6462, p. 216+, OCT 11 2019. Citações Web of Science: 2.

CAMPOS DE OLIVEIRA, FABIOLA MARTINS; BONIN, EDSON. Partitioning Convolutional Neural Networks to Maximize the Inference Rate on Constrained IoT Devices. FUTURE INTERNET, v. 11, n. 10 OCT 2019. Citações Web of Science: 0.

SILVA, CLEUTON DE SOUZA; CUSTODIO, ROGERIO. Assessment of pK(a) Determination for Monocarboxylic Acids with an Accurate Theoretical Composite Method: G4CEP. Journal of Physical Chemistry A, v. 123, n. 38, p. 8314-8320, SEP 26 2019. Citações Web of Science: 0.

GUIMARAES, ANTONIO; ARANHA, DIEGO F.; BORIN, EDSON. Optimized implementation of QC-MDPC code-based cryptography. CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE, v. 31, n. 18, SI SEP 25 2019. Citações Web of Science: 1.

FERRARI, ALLAN J. R.; CLASEN, MILAN A.; KURT, LOUISE; CARVALHO, PAULO C.; GOZZO, FABIO C.; MARTINEZ, LEANDRO. TopoLink: evaluation of structural models using chemical crosslinking distance constraints. Bioinformatics, v. 35, n. 17, p. 3169-3170, SEP 1 2019. Citações Web of Science: 4.

FERRARI, ALLAN J. R.; GOZZO, FABIO C.; MARTINEZ, LEANDRO. Statistical force-field for structural modeling using chemical cross-linking/mass spectrometry distance constraints. Bioinformatics, v. 35, n. 17, p. 3005-3012, SEP 1 2019. Citações Web of Science: 3.

LABAKI, JOSUE; ADOLPH, MARCO; MESQUITA, EUCLIDES. A derivation of nonsingular displacement and stress fields within a 3D full-space through Radon transforms. Engineering Analysis with Boundary Elements, v. 106, p. 624-633, SEP 2019. Citações Web of Science: 0.

LABAKI, JOSUE; BARROS, PERSIO L. A.; MESQUITA, EUCLIDES. Coupled horizontal and rocking vibration, and seismic shear-wave scattering of a piled plate on a transversely isotropic half-space. Engineering Analysis with Boundary Elements, v. 106, p. 609-623, SEP 2019. Citações Web of Science: 0.

ZHAO, H.; GELIUS, L. -J.; TYGEL, M.; NILSEN, E. HARRIS; EVENSEN, A. KJELSRUD. 3D Prestack Fourier Mixed-Domain (FMD) depth migration for VTI media with large lateral contrasts. JOURNAL OF APPLIED GEOPHYSICS, v. 168, p. 118-127, SEP 2019. Citações Web of Science: 0.

LUI, HUGO F. S.; WOLF, WILLIAM R. Construction of reduced-order models for fluid flows using deep feedforward neural networks. JOURNAL OF FLUID MECHANICS, v. 872, p. 963-994, AUG 10 2019. Citações Web of Science: 0.

ALVAREZ-DONADO, RENE; CAJAHUARINGA, SAMUEL; ANTONELLI, ALEX. Revisiting the fragile-to-strong crossover in metallic glass-forming liquids: Application to CuxZrxAl100-2x alloy. PHYSICAL REVIEW MATERIALS, v. 3, n. 8 AUG 1 2019. Citações Web of Science: 0.

CAMARGO, ANTONIO P.; NAKAHARA, THIAGO S.; FIRMINO, LUIZ E. R.; NETTO, PAULO H. M.; DO NASCIMENTO, JOAO B. P.; DONNARD, ELISA R.; GALANTE, PEDRO A. F.; CARAZZOLLE, MARCELO F.; MALNIC, BETTINA; PAPES, FABIO. Uncovering the mouse olfactory long non-coding transcriptome with a novel machine-learning model. DNA Research, v. 26, n. 4, p. 365-378, AUG 2019. Citações Web of Science: 0.

DE ALMEIDA, V, BRENO; CUNHA, DANIEL C.; PAVANELLO, RENATO. Topology optimization of bimorph piezoelectric energy harvesters considering variable electrode location. Smart Materials and Structures, v. 28, n. 8 AUG 2019. Citações Web of Science: 0.

SOUSA, RAFAEL; PEREIRA, MARCIO; QUINTAO PEREIRA, FERNANDO MAGNO; ARAUJO, GUIDO. Data-flow analysis and optimization for data coherence in heterogeneous architectures. JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING, v. 130, p. 126-139, AUG 2019. Citações Web of Science: 1.

RAMOS, BRENER L. O.; WOLF, WILLIAM R.; YEH, CHI-AN; TAIRA, KUNIHIKO. Active flow control for drag reduction of a plunging airfoil under deep dynamic stall. PHYSICAL REVIEW FLUIDS, v. 4, n. 7 JUL 19 2019. Citações Web of Science: 0.

BORELLI, GUILHERME; FIAMENGHI, MATEUS BERNABE; DOS SANTOS, LEANDRO VIEIRA; CARAZZOLLE, MARCELO FALSARELLA; GUIMARAES PEREIRA, GONCALO AMARANTE; JOSE, JULIANA. Positive Selection Evidence in Xylose-Related Genes Suggests Methylglyoxal Reductase as a Target for the Improvement of Yeasts' Fermentation in Industry. GENOME BIOLOGY AND EVOLUTION, v. 11, n. 7, p. 1923-1938, JUL 2019. Citações Web of Science: 1.

DO ROSARIO, VANDERSON MARTINS; BORIN, EDSON; BRETERNITZ, JR., MAURICIO. The Multi-Lane Capsule Network. IEEE SIGNAL PROCESSING LETTERS, v. 26, n. 7, p. 1006-1010, JUL 2019. Citações Web of Science: 0.

KOHLER, MATEUS H.; GAVAZZONI, CRISTINA. Water Freezing in MoS2 Nanotubes. Journal of Physical Chemistry C, v. 123, n. 22, p. 13968-13975, JUN 6 2019. Citações Web of Science: 0.

CAJAHUARINGA, SAMUEL; ANTONELLI, ALEX. Nonequilibrium Free Energy Methods Applied to Magnetic Systems: The Degenerate Ising Model. Journal of Statistical Physics, v. 175, n. 5, p. 1006-1021, JUN 2019. Citações Web of Science: 0.

NASCIMENTO, LEANDRO COSTA; YANAGUI, KARINA; JOSE, JULIANA; CAMARGO, EDUARDO L. O.; GRASSI, MARIA CAROLINA B.; CUNHA, CAMILA P.; BRESSIANI, JOSE PRIME ANTONIO; CARVALHO, GUILHERME M. A.; CARVALHO, CARLOS ROBERTO; PRADO, PAULA F.; MIECZKOWSKI, PIOTR; PEREIRA, GONCALO A. G.; CARAZZOLLE, MARCELO F. Unraveling the complex genome of Saccharum spontaneum using Polyploid Gene Assembler. DNA Research, v. 26, n. 3, p. 205-216, JUN 2019. Citações Web of Science: 1.

CHININI, GUILHERME LUIZ; CUSTODIO, ROGERIO. Assessment of a composite method based on selected density functional theory methods and complete basis set extrapolation formulas. International Journal of Quantum Chemistry, v. 119, n. 10 MAY 15 2019. Citações Web of Science: 0.

SIQUEIRA, TAYANE HONORATO; MARTINEZ, LEANDRO. Molecular simulations of fluconazole-mediated inhibition of sterol biosynthesis. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, MAY 2019. Citações Web of Science: 0.

OLIVEIRA, ELIEZER F.; AUTRETO, PEDRO A. S.; WOELLNER, CRISTIANO F.; GALVAO, DOUGLAS S. On the mechanical properties of protomene: A theoretical investigation. COMPUTATIONAL MATERIALS SCIENCE, v. 161, p. 190-198, APR 15 2019. Citações Web of Science: 2.

ROUT, ARPAN; PANDEY, PRAFULL; OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; GUMASTE, ANURAG; SINGH, AMIT; GALVAO, DOUGLAS SOARES; ARORA, AMIT; TIWARY, CHANDRA SEKHAR. Atomically locked interfaces of metal (Aluminum) and polymer (Polypropylene) using mechanical friction. Polymer, v. 169, n. SI, p. 148-153, APR 15 2019. Citações Web of Science: 1.

DE CARVALHO, L. M.; BORELLI, G.; CAMARGO, A. P.; DE ASSIS, M. A.; DE FERRAZ, S. M. F.; FIAMENGHI, M. B.; JOSE, J.; MOFATTO, L. S.; NAGAMATSU, S. T.; PERSINOTI, G. F.; SILVA, N. V.; VASCONCELOS, A. A.; PEREIRA, G. A. G.; CARAZZOLLE, M. F. Bioinformatics applied to biotechnology: A review towards bioenergy research. BIOMASS & BIOENERGY, v. 123, p. 195-224, APR 2019. Citações Web of Science: 1.

DE OLIVEIRA, IVAN PIRES; LESCANO, CAROLINE HONAISER; DE NUCCI, GILBERTO. Q817G mutation in phosphodiesterase type 5: Conformational analysis and dissociation profile of the inhibitor Tadalafil. CHEMICAL BIOLOGY & DRUG DESIGN, v. 93, n. 4, p. 419-429, APR 2019. Citações Web of Science: 2.

SUSARLA, SANDHYA; MANIMUNDA, PRAVEENA; JAQUES, YGOR M.; HACHTEL, JORDAN A.; IDROBO, JUAN C.; ASIF, S. A. SYED; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Strain-Induced Structural Deformation Study of 2D MoxW(1-x) S-2. ADVANCED MATERIALS INTERFACES, v. 6, n. 5 MAR 8 2019. Citações Web of Science: 0.

CALDEIRA, MARIANA TORETTI; CUSTODIO, ROGERIO. Partial combination of composite strategy and the B3LYP functional for the calculation of enthalpies of formation. Journal of Molecular Modeling, v. 25, n. 3 MAR 2019. Citações Web of Science: 0.

DAMASCENO, D. A.; MESQUITA, E.; RAJAPAKSE, R. K. N. D.; PAVANELLO, R. Atomic-scale finite element modelling of mechanical behaviour of graphene nanoribbons. INTERNATIONAL JOURNAL OF MECHANICS AND MATERIALS IN DESIGN, v. 15, n. 1, p. 145-157, MAR 2019. Citações Web of Science: 0.

FONSECA, ALEXANDRE F.; GALVAO, DOUGLAS S. Self-tearing and self-peeling of folded graphene nanoribbons. Carbon, v. 143, p. 230-239, MAR 2019. Citações Web of Science: 2.

LEITE, RODOLFO PAULA; DE KONING, MAURICE. Nonequilibrium free-energy calculations of fluids using LAMMPS. COMPUTATIONAL MATERIALS SCIENCE, v. 159, p. 316-326, MAR 2019. Citações Web of Science: 2.

NAGAMATSU, SHEILA TIEMI; TEIXEIRA, GLEIDSON SILVA; BEZERRA DE MELLO, FELLIPE DA SILVEIRA; GALVAO TIZEI, PEDRO AUGUSTO; GRICHOSWSKI NAKAGAWA, BRUNA TATSUE; DE CARVALHO, LUCAS MIGUEL; GUIMARAES PEREIRA, GONCALO AMARANTE; CARAZZOLLE, MARCELO FALSARELLA. Genome Assembly of a Highly Aldehyde-Resistant Saccharomyces cerevisiae SA1-Derived Industrial Strain. MICROBIOLOGY RESOURCE ANNOUNCEMENTS, v. 8, n. 13 MAR 2019. Citações Web of Science: 1.

LEAL, REGIS CASIMIRO; CUSTODIO, ROGERIO. G3(MP2)//B3-SBK: A revision of a composite theory for calculations of thermochemical properties including some non-transition elements beyond the fourth period. COMPUTATIONAL AND THEORETICAL CHEMISTRY, v. 1149, p. 1-7, FEB 1 2019. Citações Web of Science: 1.

BHOWMICK, SANJIT; OZDEN, SEHMUS; BIZAO, RAFAEL A.; MACHADO, LEONARDO DANTAS; ASIF, S. A. SYED; PUGNO, NICOLA M.; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SEKHAR; AJAYAN, P. M. High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures. Carbon, v. 142, p. 291-299, FEB 2019. Citações Web of Science: 2.

PISANI, FLAVIA; DO ROSARIO, VANDERSON MARTINS; BORIN, EDSON. Fog vs. Cloud Computing: Should I Stay or Should I Go?. FUTURE INTERNET, v. 11, n. 2 FEB 2019. Citações Web of Science: 0.

FRANCO PINHEIRO MOREIRA, PEDRO AUGUSTO; DE AGUIAR VEIGA, ROBERTO GOMES; DE KONING, MAURICE. Elastic constants of ice I-h as described by semi-empirical water models. Journal of Chemical Physics, v. 150, n. 4 JAN 28 2019. Citações Web of Science: 0.

SOLIS, DANIEL A.; BORGES, DAIANE D.; WOELLNER, CRISTIANO F.; GALVAO, DOUGLAS S. Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures. ACS APPLIED MATERIALS & INTERFACES, v. 11, n. 3, p. 2670-2676, JAN 23 2019. Citações Web of Science: 8.

COLLINS, SEAN P.; PERIM, E.; DAFF, THOMAS D.; SKAF, MUNIR S.; GALVAO, DOUGLAS S.; WOO, TOM K. Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage. Journal of Physical Chemistry C, v. 123, n. 2, p. 1050-1058, JAN 17 2019. Citações Web of Science: 1.

COIMBRA, TIAGO A.; FACCIPIERI, JORGE H.; SPEGLICH, JOAO H.; GELIUS, LEIV-J.; TYGEL, MARTIN. Enhancement of diffractions in prestack domain by means of a finite-offset double-square-root traveltime. GEOPHYSICS, v. 84, n. 1, p. V81-V96, JAN-FEB 2019. Citações Web of Science: 1.

OROSA, LOIS; AZEVEDO, RODOLFO; MUTLU, ONUR. AVPP: Address-first Value-next Predictor with Value Prefetching for Improving the Efficiency of Load Value Prediction. ACM TRANSACTIONS ON ARCHITECTURE AND CODE OPTIMIZATION, v. 15, n. 4 JAN 2019. Citações Web of Science: 1.

DE ALMEIDA, BRENO VINCENZO; PAVANELLO, RENATO. Topology Optimization of the Thickness Profile of Bimorph Piezoelectric Energy Harvesting Devices. JOURNAL OF APPLIED AND COMPUTATIONAL MECHANICS, v. 5, n. 1, p. 113-127, WIN 2019. Citações Web of Science: 1.

OLIVEIRA, ELIEZER F.; AUTRETO, PEDRO A. S.; WOELLNER, CRISTIANO F.; GALVAO, DOUGLAS S. Mechanical Properties of Protomene: A Molecular Dynamics Investigation. MRS ADVANCES, v. 4, n. 3-4, p. 191-196, 2019. Citações Web of Science: 0.

ROMANINI, E.; LABAKI, J.; MESQUITA, E.; SILVA, R. C. Stationary Dynamic Stress Solutions for a Rectangular Load Applied within a 3D Viscoelastic Isotropic Full-Space. MATHEMATICAL PROBLEMS IN ENGINEERING, 2019. Citações Web of Science: 1.

SANTOS MIRANDA, GUILHERME HENRIQUE; LINTZMAYER, CARLA NEGRI; DIAS, ZANONI. Sorting Permutations by lambda-Operations. JOURNAL OF UNIVERSAL COMPUTER SCIENCE, v. 25, n. 2, p. 98-121, 2019. Citações Web of Science: 0.

CENSONI, LUCIANO; MARTINEZ, LEANDRO. Prediction of kinetics of protein folding with non-redundant contact information. Bioinformatics, v. 34, n. 23, p. 4034-4038, DEC 1 2018. Citações Web of Science: 1.

BAZZO, BARBARA REGINA; DE CARVALHO, LUCAS MIGUEL; CARAZZOLLE, MARCELO FALSARELLA; GUIMARAES PEREIRA, GONCALO AMARANTE; COLOMBO, CARLOS AUGUSTO. Development of novel EST-SSR markers in the macauba palm (Acrocomia aculeata) using transcriptome sequencing and cross-species transferability in Arecaceae species. BMC PLANT BIOLOGY, v. 18, NOV 12 2018. Citações Web of Science: 0.

AZEVEDO, F. M.; MOURA, M. S.; VICENTE, W. M.; PICELLI, R.; PAVANELLO, R. Topology optimization of reactive acoustic mufflers using a bi-directional evolutionary optimization method. STRUCTURAL AND MULTIDISCIPLINARY OPTIMIZATION, v. 58, n. 5, p. 2239-2252, NOV 2018. Citações Web of Science: 1.

OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; WOELLNER, CRISTIANO FRANCISCO; GALVAO, DOUGLAS SOARES. On the mechanical properties of novamene: A fully atomistic molecular dynamics and DFT investigation. Carbon, v. 139, p. 782-788, NOV 2018. Citações Web of Science: 4.

YU, LI; LYCZAKOWSKI, JAN J.; PEREIRA, CAROLINE S.; KOTAKE, TOSHIHISA; YU, XIAOLAN; LI, AN; MOGELSVANG, SOREN; SKAF, MUNIR S.; DUPREE, PAUL. The Patterned Structure of Galactoglucomannan Suggests It May Bind to Cellulose in Seed Mucilage. Plant Physiology, v. 178, n. 3, p. 1011-1026, NOV 2018. Citações Web of Science: 7.

SANTOS-FLOREZ, PEDRO ANTONIO; RUESTES, CARLOS J.; DE KONING, MAURICE. Uniaxial-deformation behavior of ice I-h as described by the TIP4P/Ice and mW water models. Journal of Chemical Physics, v. 149, n. 16 OCT 28 2018. Citações Web of Science: 1.

MELENDEZ, JUAN J.; GONZALEZ-ROMERO, ROBERT L.; ANTONELLI, ALEX. Quasiparticle bands and optical properties of SnSe from an ab initio approach. COMPUTATIONAL MATERIALS SCIENCE, v. 152, p. 107-112, SEP 2018. Citações Web of Science: 1.

ZANOTTO, LEANDRO; HEERDT, GABRIEL; SOUZA, PAULO C. T.; ARAUJO, GUIDO; SKAF, MUNIR S. High performance collision cross section calculationHPCCS. Journal of Computational Chemistry, v. 39, n. 21, p. 1675-1681, AUG 5 2018. Citações Web of Science: 7.

KABBANI, MOHAMAD A.; KOCHAT, VIDYA; BHOWMICK, SANJIT; SOTO, MATIAS; SOM, ANIRBAN; KRISHNADAS, K. R.; WOELLNER, CRISTIANO F.; JAQUES, YGOR M.; BARRERA, ENRIQUE V.; ASIF, SYED; VAJTAI, ROBERT; PRADEEP, THALAPPIL; GALVAO, DOUGLAS S.; KABBANI, AHMAD T.; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Consolidation of functionalized graphene at ambient temperature via mechano-chemistry. Carbon, v. 134, p. 491-499, AUG 2018. Citações Web of Science: 8.

TOMMASINI, RODRIGO BATISTA; CARVALHO, LEONARDO DE OLIVEIRA; PAVANELLO, RENATO. A dynamic model to evaluate the influence of the laying or retrieval speed on the installation and recovery of subsea equipment. APPLIED OCEAN RESEARCH, v. 77, p. 34-44, AUG 2018. Citações Web of Science: 0.

OLIVEIRA, ANDRE R.; FERTIN, GUILLAUME; DIAS, ULISSES; DIAS, ZANONI. Sorting signed circular permutations by super short operations. Algorithms for Molecular Biology, v. 13, JUL 26 2018. Citações Web of Science: 0.

LOPEZ, ALVARO J.; MARTINEZ, LEANDRO. Parametric models to compute tryptophan fluorescence wavelengths from classical protein simulations. Journal of Computational Chemistry, v. 39, n. 19, p. 1249-1258, JUL 15 2018. Citações Web of Science: 1.

DOS SANTOS, RICARDO N.; FERRARI, ALLAN J. R.; DE JESUS, HUGO C. R.; GOZZO, FABIO C.; MORCOS, FARUCK; MARTINEZ, LEANDRO. Enhancing protein fold determination by exploring the complementary information of chemical cross-linking and coevolutionary signals. Bioinformatics, v. 34, n. 13, p. 2201-2208, JUL 1 2018. Citações Web of Science: 6.

BALAN, ARAVIND PUTHIRATH; RADHAKRISHNAN, SRUTHI; WOELLNER, CRISTIANO F.; SINHA, SHYAM K.; DENG, LIANGZI; DE LOS REYES, CARLOS; RAO, BANKI MANMADHA; PAULOSE, MAGGIE; NEUPANE, RAM; APTE, AMEY; KOCHAT, VIDYA; VAJTAI, ROBERT; HARUTYUNYAN, AVETIK R.; CHU, CHING-WU; COSTIN, GELU; GALVAO, DOUGLAS S.; MARTI, ANGEL A.; VAN AKEN, PETER A.; VARGHESE, OOMMAN K.; TIWARY, CHANDRA SEKHAR; IYER, ANANTHARAMAN MALIE MADOM RAMASWAMY; AJAYAN, PULICKEL M. Exfoliation of a non-van der Waals material from iron ore hematite. NATURE NANOTECHNOLOGY, v. 13, n. 7, p. 602+, JUL 2018. Citações Web of Science: 46.

CUSTODIO, ROGERIO; TAVARES DE MORAIS, GUILHERME DE SOUZA; RODRIGUES, MAURICIO GUSTAVO. A grid-based variational method to the solution of the Schrodinger equation: the q-exponential and the near Hartree-Fock results for the ground state atomic energies. Journal of Molecular Modeling, v. 24, n. 7 JUL 2018. Citações Web of Science: 0.

LEANDRO MARTÍNEZ. MEASURING THE CONDUCTIVITY OF VERY DILUTE ELECTROLYTE SOLUTIONS, DROP BY DROP. Química Nova, v. 41, n. 7, p. -, Jul. 2018.

MARTINEZ, LEANDRO. MEASURING THE CONDUCTIVITY OF VERY DILUTE ELECTROLYTE SOLUTIONS, DROP BY DROP. Química Nova, v. 41, n. 7, p. 814-817, JUL 2018. Citações Web of Science: 2.

SALGADO-ROA, FABIAN C.; PARDO-DIAZ, CAROLINA; LASSO, ELOISA; ARIAS, CARLOS F.; SOLFERINI, VERA NISAKA; SALAZAR, CAMILO. Gene flow and Andean uplift shape the diversification of Gasteracantha cancriformis (Araneae: Araneidae) in Northern South America. ECOLOGY AND EVOLUTION, v. 8, n. 14, p. 7131-7142, JUL 2018. Citações Web of Science: 1.

MALLINSON, SAM J. B.; MACHOVINA, MELODIE M.; SILVEIRA, RODRIGO L.; GARCIA-BORRAS, MARC; GALLUP, NATHAN; JOHNSON, CHRISTOPHER W.; ALLEN, MARK D.; SKAF, MUNIR S.; CROWLEY, MICHAEL F.; NEIDLE, ELLEN L.; HOUK, KENDALL N.; BECKHAM, GREGG T.; DUBOIS, JENNIFER L.; MCGEEHAN, JOHN E. A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. NATURE COMMUNICATIONS, v. 9, JUN 27 2018. Citações Web of Science: 23.

YADAV, THAKUR PRASAD; WOELLNER, CRISTIANO F.; SINHA, SHYAM K.; SHARIFI, TIVA; APTE, AMEY; MUKHOPADHYAY, NILAY KRISHNA; SRIVASTAVA, ONKAR NATH; VAJTAI, ROBERT; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Liquid Exfoliation of Icosahedral Quasicrystals. ADVANCED FUNCTIONAL MATERIALS, v. 28, n. 26 JUN 27 2018. Citações Web of Science: 2.

DE MACEDO BARTOLETI, LUIZ FILIPE; PERES, ELEN ARROYO; MASCARENHAS FONTES, FERNANDA VON HERTWIG; DA SILVA, MARCIO JOSE; SOLFERINI, VERA NISAKA. Phylogeography of the widespread spider Nephila clavipes (Araneae: Araneidae) in South America indicates geologically and climatically driven lineage diversification. Journal of Biogeography, v. 45, n. 6, p. 1246-1260, JUN 2018. Citações Web of Science: 1.

GAUTAM, CHANDKIRAM; CHAKRAVARTY, DIBYENDU; GAUTAM, AMARENDRA; TIWARY, CHANDRA SEKHAR; WOELLNER, CRISTIANO FRANCISCO; MISHRA, VIJAY KUMAR; AHMAD, NASEER; OZDEN, SEHMUS; JOSE, SUJIN; BIRADAR, SANTOSHKUMAR; VAJTAI, ROBERT; TRIVEDI, RITU; GALVAO, DOUGLAS S.; AJAYAN, PULICKEL M. Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications. ACS OMEGA, v. 3, n. 6, p. 6013-6021, JUN 2018. Citações Web of Science: 5.

FRANCO PINHEIRO MOREIRA, PEDRO AUGUSTO; DE AGUIAR VEIGA, ROBERTO GOMES; RIBEIRO, INGRID DE ALMEIDA; FREITAS, RODRIGO; HELFFERICH, JULIAN; DE KONING, MAURICE. Anomalous diffusion of water molecules at grain boundaries in ice I-h. Physical Chemistry Chemical Physics, v. 20, n. 20, p. 13944-13951, MAY 28 2018. Citações Web of Science: 3.

ZINK, S.; MOURA, F. A.; ALVES DA SILVA AUTRETO, P.; GALVAO, D. S.; MIZAIKOFF, B. Virtually imprinted polymers (VIPs): understanding molecularly templated materials via molecular dynamics simulations. Physical Chemistry Chemical Physics, v. 20, n. 19, p. 13145-13152, MAY 21 2018. Citações Web of Science: 4.

ZINK, S.; MOURA, F. A.; ALVES DA SILVA AUTRETO, P.; GALVAO, D. S.; MIZAIKOFF, B. Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations. Physical Chemistry Chemical Physics, v. 20, n. 19, p. 13153-13158, MAY 21 2018. Citações Web of Science: 3.

DEVI, M. MANOLATA; DOLAI, N.; SREEHALA, S.; JAQUES, Y. M.; MISHRA, R. S. KUMAR; GALVAO, DOUGLAS S.; TIWARY, C. S.; SHARMA, SUDHANSHU; BISWAS, KRISHANU. Morphology controlled graphene-alloy nanoparticle hybrids with tunable carbon monoxide conversion to carbon dioxide. NANOSCALE, v. 10, n. 18, p. 8840-8850, MAY 14 2018. Citações Web of Science: 2.

AUSTIN, HARRY P.; ALLEN, MARK D.; DONOHOE, BRYON S.; RORRER, NICHOLAS A.; KEARNS, FIONA L.; SILVEIRA, RODRIGO L.; POLLARD, BENJAMIN C.; DOMINICK, GRAHAM; DUMAN, RAMONA; EL OMARI, KAMEL; MYKHAYLYK, VITALIY; WAGNER, ARMIN; MICHENER, WILLIAM E.; AMORE, ANTONELLA; SKAF, MUNIR S.; CROWLEY, MICHAEL F.; THORNE, ALAN W.; JOHNSON, CHRISTOPHER W.; WOODCOCK, H. LEE; MCGEEHAN, JOHN E.; BECKHAM, GREGG T. Characterization and engineering of a plastic-degrading aromatic polyesterase. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v. 115, n. 19, p. E4350-E4357, MAY 8 2018. Citações Web of Science: 67.

RIBEIRO, HELIO; TRIGUEIRO, JOAO P. C.; OWUOR, PETER S.; MACHADO, LEONARDO D.; WOELLNER, CRISTIANO F.; PEDROTTI, JAIRO J.; JAQUES, YGOR M.; KOSOLWATTANA, SUPPANAT; CHIPARA, ALIN; SILVA, WELLINGTON M.; SILVA, CARLOS J. R.; GALVDO, DOUGLAS S.; CHOPRA, NITIN; ODEH, IHAB N.; TIWARY, CHANDRA S.; SILVA, GLAURA G.; AJAYAN, PULICKEL M. Hybrid 2D nanostructures for mechanical reinforcement and thermal conductivity enhancement in polymer composites. COMPOSITES SCIENCE AND TECHNOLOGY, v. 159, p. 103-110, MAY 3 2018. Citações Web of Science: 13.

OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; GALVO, DOUGLAS SOARES. On hardening silver nanocubes by high-velocity impacts: a fully atomistic molecular dynamics investigation. Journal of Materials Science, v. 53, n. 10, p. 7486-7492, MAY 2018. Citações Web of Science: 2.

BIZAO, RAFAEL A.; MACHADO, LEONARDO D.; DE SOUSA, JOSE M.; PUGNO, NICOLA M.; GALVAO, DOUGLAS S. Scale Effects on the Ballistic Penetration of Graphene Sheets. SCIENTIFIC REPORTS, v. 8, APR 30 2018. Citações Web of Science: 5.

PRATES, ERICA T.; GUAN, XIAOYANG; LI, YAOHAO; WANG, XINFENG; CHAFFEY, PATRICK K.; SKAF, MUNIR S.; CROWLEY, MICHAEL F.; TAN, ZHONGPING; BECKHAM, GREGG T. The impact of O-glycan chemistry on the stability of intrinsically disordered proteins. CHEMICAL SCIENCE, v. 9, n. 15, p. 3710-3715, APR 21 2018. Citações Web of Science: 6.

SUSARLA, SANDHYA; MANIMUNDA, PRAVEENA; JAQUES, YGOR MORAIS; HACHTEL, JORDAN A.; IDROBO, JUAN CARLOS; AMNULLA, SYED ASIF SYED; GALVAO, DOUGLAS SOARES; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Deformation Mechanisms of Vertically Stacked WS2/MoS2 Heterostructures: The Role of Interfaces. ACS NANO, v. 12, n. 4, p. 4036-4044, APR 2018. Citações Web of Science: 13.

SILVEIRA, RODRIGO L.; SKAF, MUNIR S. Concerted motions and large-scale structural fluctuations of Trichoderma reesei Cel7A cellobiohydrolase. Physical Chemistry Chemical Physics, v. 20, n. 11, p. 7498-7507, MAR 21 2018. Citações Web of Science: 4.

LINTZMAYER, CARLA NEGRI; FERTIN, GUILLAUME; DIAS, ZANONI. Sorting permutations and binary strings by length-weighted rearrangements. THEORETICAL COMPUTER SCIENCE, v. 715, p. 35-59, MAR 8 2018. Citações Web of Science: 0.

ARRUDA, THIAGO DA SILVA; DIAS, ULISSES; DIAS, ZANONI. A GRASP-Based Heuristic for the Sorting by Length-Weighted Inversions Problem. IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, v. 15, n. 2, p. 352-363, MAR-APR 2018. Citações Web of Science: 0.

RIBEIRO, ANTONIO C. C.; CAMARGO, HENRIQUE S.; PEREIRA, DOUGLAS H.; CUSTODIO, ROGERIO; MARTINS, TATIANA D. Photoluminescence of Solvent-Selected Fluorescent Moieties in MEH-PPV Solutions and Films. Journal of the Brazilian Chemical Society, v. 29, n. 3, p. 543-559, MAR 2018. Citações Web of Science: 0.

WOELLNER, C. F.; MACHADO, L. D.; AUTRETO, P. A. S.; DE SOUSA, J. M.; GALVAO, D. S. Structural transformations of carbon and boron nitride nanoscrolls at high impact collisions. Physical Chemistry Chemical Physics, v. 20, n. 7, p. 4911-4916, FEB 21 2018. Citações Web of Science: 5.

BORGES, DAIANE DAMASCENO; WOELLNER, CRISTIANO F.; AUTRETO, PEDRO A. S.; GALVAO, DOUGLAS S. Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: Entropic versus enthalpic factors. Carbon, v. 127, p. 280-286, FEB 2018. Citações Web of Science: 15.

COSTA, GUSTAVO J.; BORIN, ANTONIO C.; CUSTODIO, ROGERIO; VIDAL, LUCIANO N. Fully Anharmonic Vibrational Resonance Raman Spectrum of Diatomic Systems. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 14, n. 2, p. 843-855, FEB 2018. Citações Web of Science: 0.

SALAMANCA, JUAN; AMARAL, JOSE NELSON; ARAUJO, GUIDO. Using Hardware-Transactional-Memory Support to Implement Thread-Level Speculation. IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, v. 29, n. 2, p. 466-480, FEB 2018. Citações Web of Science: 2.

SILVA, CLEUTON DE SOUZA; CUSTODIO, ROGERIO. Empirical corrections in the G3X and G3X(CCSD) theories combined with a compact effective pseudopotential. THEORETICAL CHEMISTRY ACCOUNTS, v. 137, n. 2 JAN 25 2018. Citações Web of Science: 4.

GONZALEZ-ROMERO, ROBERT L.; ANTONELLI, ALEX; CHAVES, ANDERSON S.; MELENDEZ, JUAN J. Ultralow and anisotropic thermal conductivity in semiconductor As2Se3. Physical Chemistry Chemical Physics, v. 20, n. 3, p. 1809-1816, JAN 21 2018. Citações Web of Science: 6.

LOPEZ MOLANO, EDDY PATRICIA; CABRERA, ODALYS GARCIA; JOSE, JULIANA; DO NASCIMENTO, LEANDRO COSTA; CARAZZOLLE, MARCELO FALSARELLA; PEREIRA LIMA TEIXEIRA, PAULO JOSE; CORREA ALVAREZ, JAVIER; TIBURCIO, RICARDO AUGUSTO; TOKIMATU FILHO, PAULO MASSANARI; ALVARES DE LIMA, GUSTAVO MACHADO; CARVALHO GUIDO, RAFAEL VICTORIO; RIBEIRO CORREA, THAMY LIVIA; PAES LEME, ADRIANA FRANCO; MIECZKOWSKI, PIOTR; GUIMARAES PEREIRA, GONCALO AMARANTE. Ceratocystis cacaofunesta genome analysis reveals a large expansion of extracellular phosphatidylinositol-specific phospholipase-C genes (PI-PLC). BMC Genomics, v. 19, JAN 17 2018. Citações Web of Science: 4.

SAJADI, SEYED MOHAMMAD; OWUOR, PETER SAMORA; SCHARA, STEVEN; WOELLNER, CRISTIANO F.; RODRIGUES, VARLEI; VAJTAI, ROBERT; LOU, JUN; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Multiscale Geometric Design Principles Applied to 3D Printed Schwarzites. Advanced Materials, v. 30, n. 1 JAN 4 2018. Citações Web of Science: 10.

LEAL, REGIS CASIMIRO; PEREIRA, DOUGLAS HENRIQUE; CUSTODIO, ROGERIO. An energetic analysis of the Diels-Alder endo:exo selectivity reaction by using composite methods. COMPUTATIONAL AND THEORETICAL CHEMISTRY, v. 1123, p. 161-168, JAN 1 2018. Citações Web of Science: 2.

AZEVEDO, DAVID L.; BIZAO, RAFAEL A.; GALVAO, DOUGLAS S. Molecular dynamics simulations of ballistic penetration of penta-graphene sheets. MRS ADVANCES, v. 3, n. 8-9, p. 431-435, 2018. Citações Web of Science: 1.

BORGES, DAIANE DAMASCENO; GALVAO, DOUGLAS S. Schwarzites for Natural Gas Storage: A Grand - Canonical Monte Carlo Study. MRS ADVANCES, v. 3, n. 1-2, p. 115-120, 2018. Citações Web of Science: 1.

BORGES, DAIANE DAMASCENO; WOELLNER, CRISTIANO F.; AUTRETO, PEDRO A. S.; GALVAO, DOUGLAS S. Water/Alcohol Separation in Graphene Oxide Membranes: Insights from Molecular Dynamics and Monte Carlo Simulations. MRS ADVANCES, v. 3, n. 1-2, p. 109-114, 2018. Citações Web of Science: 1.

DE SOUSA, J. M.; AGUIAR, A. L.; GIRAO, E. C.; FONSECA, ALEXANDRE F.; SOUZA FILHO, A. G.; GALVAO, DOUGLAS S. Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study. MRS ADVANCES, v. 3, n. 1-2, p. 97-102, 2018. Citações Web of Science: 0.

DE SOUSA, J. M.; AGUIAR, A. L.; GIRAO, E. C.; FONSECA, ALEXANDRE F.; SOUSA FILHO, A. G.; GALVAO, DOUGLAS S. Mechanical Properties of Phagraphene Membranes: A Fully Atomistic Molecular Dynamics Investigation. MRS ADVANCES, v. 3, n. 1-2, p. 67-72, 2018. Citações Web of Science: 0.

FONSECA, ALEXANDRE F.; GALVAO, DOUGLAS S. Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation. MRS ADVANCES, v. 3, n. 8-9, p. 460-465, 2018. Citações Web of Science: 1.

JAQUES, Y. M.; MANIMUNDA, P.; NAKANISHI, Y.; SUSARLA, S.; WOELLNER, C. F.; BHOWMICK, S.; ASIF, S. A. S.; GALVAO, D. S.; TIWARY, C. S.; AJAYAN, P. M. Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2. MRS ADVANCES, v. 3, n. 6-7, p. 373-378, 2018. Citações Web of Science: 0.

OLIVEIRA, ELIEZER FERNANDO; BARBOSA DOS SANTOS, RICARDO PAUPITZ; DA SILVA ANTRETO, PEDRO ALVES; MOSHKALEV, STANISLAV; GALVAO, DOUGLAS SOARES. Improving Graphene-metal Contacts: Thermal Induced Polishing. MRS ADVANCES, v. 3, n. 1-2, p. 73-78, 2018. Citações Web of Science: 2.

OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; GALVAO, DOUGLAS SOARES. Silver Hardening via Hypersonic Impacts. MRS ADVANCES, v. 3, n. 8-9, p. 489-494, 2018. Citações Web of Science: 0.

WOELLNER, CRISTIANO F.; OWUOR, PETER S.; LI, TONG; VINOD, SOUNLYA; OZDEN, SEHMUS; KOSOLWATTANA, SUPPANAT; BHOWMICK, SANJIT; DUY, LUONG X.; SALVATIERRA, RODRIGO V.; WEI, BINGQING; AMANULLA, SYED A. S.; TOUR, JAMES M.; VAJTAI, ROBERT; LOU, JUN; GALVAO, DOUGLAS S.; TIWARY, CHANDRA S.; AJAYAN, PULICKEL M. Mechanical Properties of Ultralow Density Graphene Oxide/Polydimethylsiloxane Foams. MRS ADVANCES, v. 3, n. 1-2, p. 61-66, 2018. Citações Web of Science: 0.

WOELLNER, CRISTIANO F.; BOTARI, TIAGO; PERIM, ERIC; GALVAO, DOUGLAS S. Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation. MRS ADVANCES, v. 3, n. 8-9, p. 448-453, 2018. Citações Web of Science: 1.

DE OLIVEIRA, IVAN PIRES; JARA, GABRIEL ERNESTO; MARTINEZ, LEANDRO. Molecular mechanism of activation of Burkholderia cepacia lipase at aqueous-organic interfaces. Physical Chemistry Chemical Physics, v. 19, n. 46, p. 31499-31507, DEC 14 2017. Citações Web of Science: 2.

CONTESINI, FABIANO JARES; LIBERATO, MARCELO VIZONA; RUBIO, MARCELO VENTURA; CALZADO, FELIPE; ZUBIETA, MARIANE PALUDETTI; RIANO-PACHON, DIEGO MAURICIO; SQUINA, FABIO MARCIO; BRACHT, FABRICIO; SKAF, MUNIR S.; DAMASIO, ANDRE RICARDO. Structural and functional characterization of a highly secreted alpha-L-arabinofuranosidase (GH62) from Aspergillus nidulans grown on sugarcane bagasse. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, v. 1865, n. 12, p. 1758-1769, DEC 2017. Citações Web of Science: 6.

MANIMUNDA, P.; NAKANISHI, Y.; JAQUES, Y. M.; SUSARLA, S.; WOELLNER, C. F.; BHOWMICK, S.; ASIF, S. A. S.; GALVAO, D. S.; TIWARY, C. S.; AJAYAN, P. M. Nanoscale deformation and friction characteristics of atomically thin WSe2 and heterostructure using nanoscratch and Raman spectroscopy. 2D MATERIALS, v. 4, n. 4 DEC 2017. Citações Web of Science: 12.

MARTINEZ, LEANDRO; SHIMIZU, SEISHI. Molecular Interpretation of Preferential Interactions in Protein Solvation: A Solvent-Shell Perspective by Means of Minimum-Distance Distribution Functions. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 13, n. 12, p. 6358-6372, DEC 2017. Citações Web of Science: 7.

SHARIFI, TIVA; ZHANG, XIANG; COSTIN, GELU; YAZDI, SADEGH; WOELLNER, CRISTIANO F.; LIU, YANG; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL. Thermoelectricity Enhanced Electrocatalysis. Nano Letters, v. 17, n. 12, p. 7908-7913, DEC 2017. Citações Web of Science: 3.

PICELLI, R.; VICENTE, W. M.; PAVANELLO, R. Evolutionary topology optimization for structural compliance minimization considering design-dependent FSI loads. FINITE ELEMENTS IN ANALYSIS AND DESIGN, v. 135, p. 44-55, NOV 1 2017. Citações Web of Science: 6.

RADHAKRISHNAN, SRUTHI; SUDEEP, PARAMBATH M.; PARK, JUN HYOUNG; WOELLNER, CRISTIANO F.; MALADONADO, KIERSTEIN; GALVAO, DOUGLAS S.; KAIPPARETTU, BENNY ABRAHAM; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Multifunctional Hybrids Based on 2D Fluorinated Graphene Oxide and Superparamagnetic Iron Oxide Nanoparticles. PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION, v. 34, n. 11 NOV 2017. Citações Web of Science: 2.

NASCIMENTO, LEANDRO COSTA; SALAZAR, MARCELA MENDES; LEPIKSON-NETO, JORGE; OLIVEIRA CAMARGO, EDUARDO LEAL; PARREIRAS, LUCAS SALERA; GUIMARAES PEREIRA, GONCALO AMARANTE; CARAZZOLLE, MARCELO FALSARELLA. EUCANEXT: an integrated database for the exploration of genomic and transcriptomic data from Eucalyptus species. DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION, OCT 24 2017. Citações Web of Science: 1.

TOMAS, JORDI CREUS; FARIA, FABIO AUGUSTO; DALLA MORA ESQUERDO, JULIO CESAR; COUTINHO, ALEXANDRE CAMARGO; MEDEIROS, CLAUDIA BAUZER. SiRCub, A Novel Approach to Recognize Agricultural Crops Using Supervised Classification. INTERNATIONAL JOURNAL OF AGRICULTURAL AND ENVIRONMENTAL INFORMATION SYSTEMS, v. 8, n. 4, p. 20-36, OCT-DEC 2017. Citações Web of Science: 0.

LEITE, RODOLFO PAULA; SANTOS-FLOREZ, PEDRO ANTONIO; DE KONING, MAURICE. Uhlenbeck-Ford model: Phase diagram and corresponding-states analysis. Physical Review E, v. 96, n. 3 SEP 11 2017. Citações Web of Science: 2.

DE MACEDO BARTOLETI, LUIZ FILIPE; PERES, ELEN ARROYO; SOBRAL-SOUZA, THADEU; MASCARENHAS FONTES, FERNANDA VON HERTWIG; DA SILVA, MARCIO JOSE; SOLFERINI, VERA NISAKA. Phylogeography of the dry vegetation endemic species Nephila sexpunctata (Araneae: Araneidae) suggests recent expansion of the Neotropical Dry Diagonal. Journal of Biogeography, v. 44, n. 9, p. 2007-2020, SEP 2017. Citações Web of Science: 7.

OWUOR, PETER SAMORA; PARK, OK-KYUNG; WOELLNER, CRISTIANO F.; JALILOV, ALMAZ S.; SUSARLA, SANDHYA; JOYNER, JARIN; OZDEN, SEHMUS; DUY, LUONGXUAN; SALVATIERRA, RODRIGO VILLEGAS; VAJTAI, ROBERT; TOUR, JAMES M.; LOU, JUN; GALVAO, DOUGLAS SOARES; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Lightweight Hexagonal Boron Nitride Foam for CO2 Absorption. ACS NANO, v. 11, n. 9, p. 8944-8952, SEP 2017. Citações Web of Science: 17.

BIZAO, R. A.; BOTARI, T.; PERIM, E.; PUGNO, NICOLA M.; GALVAO, D. S. Mechanical properties and fracture patterns of graphene (graphitic) nanowiggles. Carbon, v. 119, p. 431-437, AUG 2017. Citações Web of Science: 11.

CENSONI, LUCIANO; MUNIZ, HELOISA DOS SANTOS; MARTINEZ, LEANDRO. A network model predicts the intensity of residue-protein thermal coupling. Bioinformatics, v. 33, n. 14, p. 2106-2113, JUL 15 2017. Citações Web of Science: 0.

SOUZA, PAULO C. T.; TEXTOR, LARISSA C.; MELO, DENISE C.; NASCIMENTO, ALESSANDRO S.; SKAF, MUNIR S.; POLIKARPOV, IGOR. An alternative conformation of ER beta bound to estradiol reveals H12 in a stable antagonist position. SCIENTIFIC REPORTS, v. 7, JUN 14 2017. Citações Web of Science: 5.

GONZALEZ-ROMERO, ROBERT L.; ANTONELLI, ALEX; MELENDEZ, JUAN J. Insights into the thermoelectric properties of SnSe from ab initio calculations. Physical Chemistry Chemical Physics, v. 19, n. 20, p. 12804-12815, MAY 28 2017. Citações Web of Science: 20.

OWUOR, PETER SAMORA; WOELLNER, CRISTIANO F.; LI, TONG; VINOD, SOUMYA; OZDEN, SEHMUS; KOSOLWATTANA, SUPPANAT; BHOWMICK, SANJIT; DUY, LUONG XUAN; SALVATIERRA, RODRIGO V.; WEI, BINGQING; ASIF, SYED A. S.; TOUR, JAMES M.; VAJTAI, ROBERT; LOU, JUN; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL. M. High Toughness in Ultralow Density Graphene Oxide Foam. ADVANCED MATERIALS INTERFACES, v. 4, n. 10 MAY 23 2017. Citações Web of Science: 6.

GALVAO, GUSTAVO RODRIGUES; BAUDET, CHRISTIAN; DIAS, ZANONI. Sorting Circular Permutations by Super Short Reversals. IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, v. 14, n. 3, p. 620-633, MAY-JUN 2017. Citações Web of Science: 2.

PEREIRA, CAROLINE S.; SILVEIRA, RODRIGO L.; DUPREE, PAUL; SKAF, MUNIR S. Effects of Xylan Side-Chain Substitutions on Xylan-Cellulose Interactions and Implications for Thermal Pretreatment of Cellulosic Biomass. Biomacromolecules, v. 18, n. 4, p. 1311-1321, APR 2017. Citações Web of Science: 25.

LINTZMAYER, CARLA NEGRI; FERTIN, GUILLAUME; DIAS, ZANONI. Sorting permutations by prefix and suffix rearrangements. JOURNAL OF BIOINFORMATICS AND COMPUTATIONAL BIOLOGY, v. 15, n. 1 FEB 2017. Citações Web of Science: 3.

CHIPARA, ALIN CRISTIAN; OWUOR, PETER SAMORA; BHOWMICK, SANJIT; BRUNETTO, GUSTAVO; ASIF, S. A. SYED; CHIPARA, MIRCEA; VAJTAI, ROBERT; LOU, JUN; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Structural Reinforcement through Liquid Encapsulation. ADVANCED MATERIALS INTERFACES, v. 4, n. 2 JAN 23 2017. Citações Web of Science: 3.

ALVES, ANA PAULA P.; KOIZUMI, RYOTA; SAMANTA, ATANU; MACHADO, LEONARDO D.; SINGH, ABHISEK K.; GALVAO, DOUGLAS S.; SILVA, GLAURA G.; TIWARY, CHANDRA S.; AJAYAN, PULICKEL M. One-step electrodeposited 3D-ternary composite of zirconia nanoparticles, rGO and polypyrrole with enhanced supercapacitor performance. NANO ENERGY, v. 31, p. 225-232, JAN 2017. Citações Web of Science: 30.

MOTTIN, MELINA; SOUZA, PAULO C. T.; RICCI, CLARISSE G.; SKAF, MUNIR S. CHARMM Force Field Parameterization of Peroxisome Proliferator-Activated Receptor gamma Ligands. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, v. 18, n. 1 JAN 2017. Citações Web of Science: 0.

PICELLI, R.; VAN DIJK, R.; VICENTE, W. M.; PAVANELLO, R.; LANGELAAR, M.; VAN KEULEN, F. Topology optimization for submerged buoyant structures. ENGINEERING OPTIMIZATION, v. 49, n. 1, p. 1-21, JAN 2017. Citações Web of Science: 6.

BORGES, DAIANE DAMASCENO; MAURIN, GUILLAUME; GALVAO, DOUGLAS S. Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries. MRS ADVANCES, v. 2, n. 9, p. 519-524, 2017. Citações Web of Science: 13.

DAMASCENO, D. A.; MESQUITA, E.; RAJAPAKSE, R. N. K. D. Mechanical Behavior of Nano Structures Using Atomic-Scale Finite Element Method (AFEM). LATIN AMERICAN JOURNAL OF SOLIDS AND STRUCTURES, v. 14, n. 11, p. 2046-2066, 2017. Citações Web of Science: 0.

GONZALEZ-ROMERO, ROBERT L.; ANTONELLI, A. Estimating carrier relaxation times in the Ba8Ga16Ge30 clathrate in the extrinsic regime. Physical Chemistry Chemical Physics, v. 19, n. 4, p. 3010-3018, 2017. Citações Web of Science: 5.

JAQUES, YGOR M.; GALVAO, DOUGLAS S. Nanodroplets Behavior on Graphdiyne Membranes. MRS ADVANCES, v. 2, n. 29, p. 1551-1556, 2017. Citações Web of Science: 0.

JAQUES, YGOR M.; GALVAO, DOUGLAS S. Permeation of Water Nanodroplets on Carbon Nanotubes Forests. MRS ADVANCES, v. 2, n. 2, p. 123-128, 2017. Citações Web of Science: 0.

OLIVEIRA, ANDRE RODRIGUES; DIAS, ULISSES; DIAS, ZANONI. On the Sorting by Reversals and Transpositions Problem. JOURNAL OF UNIVERSAL COMPUTER SCIENCE, v. 23, n. 9, p. 868-906, 2017. Citações Web of Science: 1.

SOLIS, DANIEL; WOELLNER, CRISTIANO; BORGES, DAIANE D.; GALVAO, DOUGLAS S. Mechanical and Thermal Stability of Graphyne and Graphdiyne Nanoscrolls. MRS ADVANCES, v. 2, n. 2, p. 129-134, 2017. Citações Web of Science: 1.

SPLUGUES, VINICIUS; DA SILVA AUTRETO, PEDRO ALVES; GALVAO, DOUGLAS S. Hydrogenation Dynamics of Biphenylene Carbon (Graphenylene) Membranes. MRS ADVANCES, v. 2, n. 29, p. 1571-1576, 2017. Citações Web of Science: 0.

MARMEROLA, GUILHERME D.; OIKAWA, MARINA A.; DIAS, ZANONI; GOLDENSTEIN, SIOME; ROCHA, ANDERSON. On the Reconstruction of Text Phylogeny Trees: Evaluation and Analysis of Textual Relationships. PLoS One, v. 11, n. 12 DEC 19 2016. Citações Web of Science: 4.

CALZADO, FELIPE; PRATES, ERICA T.; GONCALVES, THIAGO A.; RUBIO, MARCELO V.; ZUBIETA, MARIANE P.; SQUINA, FABIO M.; SKAF, MUNIR S.; DAMASIO, ANDRE R. L. Molecular basis of substrate recognition and specificity revealed in family 12 glycoside hydrolases. Biotechnology and Bioengineering, v. 113, n. 12, p. 2577-2586, DEC 2016. Citações Web of Science: 3.

KOIZUMI, RYOTA; HART, AMELIA H. C.; BRUNETTO, GUSTAVO; BHOWMICK, SANJIT; OWUOR, PETER S.; HAMEL, JOHN T.; GENTLES, ANIEPH X.; OZDEN, SEHMUS; LOU, JUN; VAJTAI, ROBERT; ASIF, S. A. SYED; GALVAO, DOUGLAS S.; TIWARY, C. S.; AJAYAN, P. M. Mechano-chemical stabilization of three-dimensional carbon nanotube aggregates. Carbon, v. 110, p. 27-33, DEC 2016. Citações Web of Science: 11.

LEITE, RODOLFO PAULA; FREITAS, RODRIGO; AZEVEDO, RODOLFO; DE KONING, MAURICE. The Uhlenbeck-Ford model: Exact virial coefficients and application as a reference system in fluid-phase free-energy calculations. Journal of Chemical Physics, v. 145, n. 19 NOV 21 2016. Citações Web of Science: 3.

GALE, ELLA; WIRAWAN, REMIGIUS H.; SILVEIRA, RODRIGO L.; PEREIRA, CAROLINE S.; JOHNS, MARCUS A.; SKAF, MUNIR S.; SCOTT, JANET L. Directed Discovery of Greener Cosolvents: New Cosolvents for Use in Ionic Liquid Based Organic Electrolyte Solutions for Cellulose Dissolution. ACS SUSTAINABLE CHEMISTRY & ENGINEERING, v. 4, n. 11, p. 6200-6207, NOV 2016. Citações Web of Science: 13.

CHAKRAVARTY, DIBYENDU; TIWARY, CHANDRA SEKHAR; WOELLNER, CRISTANO F.; RADHAKRISHNAN, SRUTHI; VINOD, SOUMYA; OZDEN, SEHMUS; DA SILVA AUTRETO, PEDRO ALVES; BHOWMICK, SANJIT; ASIF, SYED; MANI, SENDURAI A.; GALVAO, DOUGLAS S.; AJAYAN, PULICKEL M. 3D Porous Graphene by Low-Temperature Plasma Welding for Bone Implants. Advanced Materials, v. 28, n. 40, p. 8959-8967, OCT 26 2016. Citações Web of Science: 16.

LESCANO, CAROLINE HONAISER; DE OLIVEIRA, IVAN PIRES; ZAMINELLI, TIAGO; BALDIVIA, DEBORA DA SILVA; DA SILVA, LUAN RAMOS; NAPOLITANO, MAURO; MENDES SILVERIO, CAMILA BITENCOURT; LINCOPAN, NILTON; SANJINEZ-ARGANDONA, ELIANA JANET. Campomanesia adamantium Peel Extract in Antidiarrheal Activity: The Ability of Inhibition of Heat-Stable Enterotoxin by Polyphenols. PLoS One, v. 11, n. 10 OCT 20 2016. Citações Web of Science: 6.

SONODA, MILTON T.; DOLORES ELOLA, M.; SKAF, MUNIR S. Molecular dynamics simulations of the dielectric properties of fructose aqueous solutions. JOURNAL OF PHYSICS-CONDENSED MATTER, v. 28, n. 41, SI OCT 19 2016. Citações Web of Science: 1.

OZDEN, SEHMUS; MACHADO, LEONARDO D.; TIWARY, CHANDRASEKHAR; AUTRETO, PEDRO A. S.; VAJTAI, ROBERT; BARRERA, ENRIQUE V.; GALVAO, DOUGLAS S.; AJAYAN, PULICKEL M. Ballistic Fracturing of Carbon Nanotubes. ACS APPLIED MATERIALS & INTERFACES, v. 8, n. 37, p. 24819-24825, SEP 21 2016. Citações Web of Science: 7.

VINOD, SOUMYA; TIWARY, CHANDRA SEKHAR; MACHADO, LEONARDO D.; OZDEN, SEHMUS; VAJTAI, ROBERT; GALVAO, DOUGLAS S.; AJAYAN, PULICKEL M. Synthesis of ultralow density 3D graphene-CNT foams using a two-step method. NANOSCALE, v. 8, n. 35, p. 15857-15863, SEP 21 2016. Citações Web of Science: 21.

GONZALEZ-ROMERO, ROBERT L.; MIRANDA, CAETANO R.; AVILA, MARCOS A.; ANTONELLI, ALEX. Hosting of La3+ guest ions in type-I Ge clathrates: A first-principles characterization for thermoelectric applications. COMPUTATIONAL MATERIALS SCIENCE, v. 122, p. 46-56, SEP 2016. Citações Web of Science: 2.

OIKAWA, MARINA A.; DIAS, ZANONI; ROCHA, ANDERSON; GOLDENSTEIN, SIOME. Distances in multimedia phylogeny. International Transactions in Operational Research, v. 23, n. 5, SI, p. 921-946, SEP 2016. Citações Web of Science: 0.

OLIVEIRA, IVAN P.; MARTINEZ, LEANDRO. Molecular basis for competitive solvation of the Burkholderia cepacia lipase by sorbitol and urea. Physical Chemistry Chemical Physics, v. 18, n. 31, p. 21797-21808, AUG 31 2016. Citações Web of Science: 5.

LI, BO; GONG, YONGJI; HU, ZHILI; BRUNETTO, GUSTAVO; YANG, YINGCHAO; YE, GONGLAN; ZHANG, ZHUHUA; LEI, SIDONG; JIN, ZEHUA; BIANCO, ELISABETH; ZHANG, XIANG; WANG, WEIPENG; LOU, JUN; GALVAO, DOUGLAS S.; TANG, MING; YAKOBSON, BORIS I.; VAJTAI, ROBERT; AJAYAN, PULICKEL M. Solid-Vapor Reaction Growth of Transition-Metal Dichalcogenide Monolayers. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v. 55, n. 36, p. 10656-10661, AUG 26 2016. Citações Web of Science: 12.

ALMEIDA, CLARA M.; PRIOLI, RODRIGO; FRAGNEAUD, BENJAMIN; CANCADO, LUIZ GUSTAVO; PAUPITZ, RICARDO; GALVAO, DOUGLAS S.; DE CICCO, MARCELO; MENEZES, MARCOS G.; ACHETE, CARLOS A.; CAPAZ, RODRIGO B. Giant and Tunable Anisotropy of Nanoscale Friction in Graphene. SCIENTIFIC REPORTS, v. 6, AUG 18 2016. Citações Web of Science: 10.

BUSSE-WICHER, MARTA; LI, AN; SILVEIRA, RODRIGO L.; PEREIRA, CAROLINE S.; TRYFONA, THEODORA; GOMES, THIAGO C. F.; SKAF, MUNIR S.; DUPREE, PAUL. Evolution of Xylan Substitution Patterns in Gymnosperms and Angiosperms: Implications for Xylan Interaction with Cellulose. Plant Physiology, v. 171, n. 4, p. 2418-2431, AUG 2016. Citações Web of Science: 31.

KABBANI, MOHAMAD A.; TIWARY, CHANDRA SEKHAR; SOM, ANIRBAN; KRISHNADAS, K. R.; AUTRETO, PEDRO A. S.; OZDEN, SEHMUS; KEYSHAR, KUNTTAL; HACKENBERG, KEN; CHIPARA, ALIN CHRISTIAN; GALVAO, DOUGLAS S.; VAJTAI, ROBERT; KABBANI, AHMAD T.; PRADEEP, THALAPPIL; AJAYAN, PULICKEL M. A generic approach for mechano-chemical reactions between carbonnanotubes of different functionalities. Carbon, v. 104, p. 196-202, AUG 2016. Citações Web of Science: 7.

SILVEIRA, RODRIGO L.; STOYANOV, STANISLAV R.; KOVALENKO, ANDRIY; SKAF, MUNIR S. Cellulose Aggregation under Hydrothermal Pretreatment Conditions. Biomacromolecules, v. 17, n. 8, p. 2582-2590, AUG 2016. Citações Web of Science: 28.

TIM, CARLA ROBERTA; BOSSINI, PAULO SERGIO; KIDO, HUELITON WILIAN; MALAVAZI, IRAN; KRESS, MARCIA REGINA VON ZESKA; CARAZZOLLE, MARCELO FALSARELLA; RENNO, ANA CLAUDIA; PARIZOTTO, NIVALDO ANTONIO. Low-level laser therapy induces an upregulation of collagen gene expression during the initial process of bone healing: a microarray analysis. Journal of Biomedical Optics, v. 21, n. 8 AUG 2016. Citações Web of Science: 4.

BORDA, EDGAR JOSUE LANDINEZ; CAI, WEI; DE KONING, MAURICE. Dislocation Structure and Mobility in hcp He-4. Physical Review Letters, v. 117, n. 4 JUL 20 2016. Citações Web of Science: 7.

JARA, GABRIEL E.; MARTINEZ, LEANDRO. Anthrax Edema Factor: An Ion-Adaptive Mechanism of Catalysis with Increased Transition-State Conformational Flexibility. Journal of Physical Chemistry B, v. 120, n. 27, p. 6504-6514, JUL 14 2016. Citações Web of Science: 1.

OZDEN, SEHMUS; BRUNETTO, GUSTAVO; KARTHISELVA, N. S.; GALVAO, DOUGLAS S.; ROY, AJIT; BAKSHI, SRINIVASA R.; TIWARY, CHANDRA S.; AJAYAN, PULICKEL M. Controlled 3D Carbon Nanotube Structures by Plasma Welding. ADVANCED MATERIALS INTERFACES, v. 3, n. 13 JUL 8 2016. Citações Web of Science: 9.

COIMBRA, TIAGO A.; FACCIPIERI, JORGE H.; RUEDA, DANY S.; TYGEL, MARTIN. Common-reflection-point time migration. STUDIA GEOPHYSICA ET GEODAETICA, v. 60, n. 3, p. 500-530, JUL 2016. Citações Web of Science: 5.

HUANG, WEILIN; WANG, RUNQIU; CHEN, YANGKANG; LI, HUIJIAN; GAN, SHUWEI. Damped multichannel singular spectrum analysis for 3D random noise attenuation. GEOPHYSICS, v. 81, n. 4, p. V261-V282, JUL-AUG 2016. Citações Web of Science: 66.

MACHADO, LEONARDO D.; OZDEN, SEHMUS; TIWARY, CHANDRASEKHAR; AUTRETO, PEDRO A. S.; VAJTAI, ROBERT; BARRERA, ENRIQUE V.; GALVAO, DOUGLAS S.; AJAYAN, PULICKEL M. The structural and dynamical aspects of boron nitride nanotubes under high velocity impacts. Physical Chemistry Chemical Physics, v. 18, n. 22, p. 14776-14781, JUN 14 2016. Citações Web of Science: 7.

SILVA, CLEUTON DE SOUZA; PEREIRA, DOUGLAS HENRIQUE; CUSTODIO, ROGERIO. G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elements. Journal of Chemical Physics, v. 144, n. 20 MAY 28 2016. Citações Web of Science: 3.

DAFF, THOMAS D.; COLLINS, SEAN P.; DURECKOVA, HANA; PERIM, ERIC; SKAF, MUNIR S.; GALVAO, DOUGLAS S.; WOO, TOM K. Evaluation of carbon nanoscroll materials for post-combustion CO2 capture. Carbon, v. 101, p. 218-225, MAY 2016. Citações Web of Science: 16.

LEI, SIDONG; WANG, XIFAN; LI, BO; KANG, JIAHAO; HE, YONGMIN; GEORGE, ANTONY; GE, LIEHUI; GONG, YONGJI; DONG, PEI; JIN, ZEHUA; BRUNETTO, GUSTAVO; CHEN, WEIBING; LIN, ZUAN-TAO; BAINES, ROBERT; GALVAO, DOUGLAS S.; LOU, JUN; BARRERA, ENRIQUE; BANERJEE, KAUSTAV; VAJTAI, ROBERT; AJAYAN, PULICKEL. Surface functionalization of two-dimensional metal chalcogenides by Lewis acid-base chemistry. NATURE NANOTECHNOLOGY, v. 11, n. 5, p. 465+, MAY 2016. Citações Web of Science: 63.

MOFATTO, LUCIANA SOUTO; CARNEIRO, FERNANDA DE ARAJO; VIEIRA, NATALIA GOMES; DUARTE, KAROLINE ESTEFANI; VIDAL, RAMON OLIVEIRA; ALEKCEVETCH, JEAN CARLOS; COTTA, MICHELLE GUITTON; VERDEIL, JEAN-LUC; LAPEYRE-MONTES, FABIENNE; LARTAUD, MARC; LEROY, THIERRY; DE BELLIS, FABIEN; POT, DAVID; RODRIGUES, GUSTAVO COSTA; CARAZZOLLE, MARCELO FALSARELLA; GUIMARAES PEREIRA, GONCALO AMARANTE; ANDRADE, ALAN CARVALHO; MARRACCINI, PIERRE. Identification of candidate genes for drought tolerance in coffee by high-throughput sequencing in the shoot apex of different Coffea arabica cultivars. BMC PLANT BIOLOGY, v. 16, APR 19 2016. Citações Web of Science: 16.

LIBERATO, MARCELO V.; SILVEIRA, RODRIGO L.; PRATES, ERICA T.; DE ARAUJO, EVANDRO A.; PELLEGRINI, VANESSA O. A.; CAMILO, CESAR M.; KADOWAKI, MARCO A.; NETO, MARIO DE O.; POPOV, ALEXANDER; SKAF, MUNIR S.; POLIKARPOV, IGOR. Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism. SCIENTIFIC REPORTS, v. 6, APR 1 2016. Citações Web of Science: 9.

VICENTE, W. M.; ZUO, Z. H.; PAVANELLO, R.; CALIXTO, T. K. L.; PICELLI, R.; XIE, Y. M. Concurrent topology optimization for minimizing frequency responses of two-level hierarchical structures. COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING, v. 301, p. 116-136, APR 1 2016. Citações Web of Science: 27.

BOTARI, TIAGO; PAUPITZ, RICARDO; DA SILVA AUTRETO, PEDRO ALVES; GALVAO, DOUGLAS S. Graphene healing mechanisms: A theoretical investigation. Carbon, v. 99, p. 302-309, APR 2016. Citações Web of Science: 12.

SHADMI, NITZAN; KREMEN, ANNA; FRENKEL, YIFTACH; LAPIN, ZACHARY J.; MACHADO, LEONARDO D.; LEGOAS, SERGIO B.; BITTON, ORA; RECHAV, KATYA; POPOVITZ-BIRO, RONIT; GALVAO, DOUGLAS S.; JORIO, ADO; NOVOTNY, LUKAS; KALISKY, BEENA; JOSELEVICH, ERNESTO. Defect-Free Carbon Nanotube Coils. Nano Letters, v. 16, n. 4, p. 2152-2158, APR 2016. Citações Web of Science: 4.

WOELLNER, CRISTIANO F.; FREIRE, JOSE A. Impact of the intermixed phase and the channel network on the carrier mobility of nanostructured solar cells. Journal of Chemical Physics, v. 144, n. 8 FEB 28 2016. Citações Web of Science: 2.

DE KONING, MAURICE; FAZZIO, ADALBERTO; ROQUE DA SILVA, ANTONIO JOSE; ANTONELLI, ALEX. On the nature of the solvated electron in ice I-h. Physical Chemistry Chemical Physics, v. 18, n. 6, p. 4652-4658, FEB 14 2016. Citações Web of Science: 1.

SILVEIRA, RODRIGO L.; SKAF, MUNIR S. Molecular dynamics of the Bacillus subtilis expansin EXLX1: interaction with substrates and structural basis of the lack of activity of mutants. Physical Chemistry Chemical Physics, v. 18, n. 5, p. 3510-3521, FEB 7 2016. Citações Web of Science: 10.

DE OLIVEIRA, ALBERTO A.; FERRARA, PASQUALE; DE ROSA, ALESSIA; PIVA, ALESSANDRO; BARNI, MAURO; GOLDENSTEIN, SIOME; DIAS, ZANONI; ROCHA, ANDERSON. Multiple Parenting Phylogeny Relationships in Digital Images. IEEE Transactions on Information Forensics and Security, v. 11, n. 2, p. 328-343, FEB 2016. Citações Web of Science: 11.

YUYAMA, PRISCILA MARY; REIS JUNIOR, OSVALDO; IVAMOTO, SUZANA TIEMI; DOMINGUES, DOUGLAS SILVA; CARAZZOLLE, MARCELO FALSARELLA; GUIMARAES PEREIRA, GONCALO AMARANTE; CHARMETANT, PIERRE; LEROY, THIERRY; PROTASIO PEREIRA, LUIZ FILIPE. Transcriptome analysis in Coffea eugenioides, an Arabica coffee ancestor, reveals differentially expressed genes in leaves and fruits. Molecular Genetics and Genomics, v. 291, n. 1, p. 323-336, FEB 2016. Citações Web of Science: 14.

RICCI, CLARISSE G.; SILVEIRA, RODRIGO L.; RIVALTA, IVAN; BATISTA, VICTOR S.; SKAF, MUNIR S. Allosteric Pathways in the PPAR gamma-RXR alpha nuclear receptor complex. SCIENTIFIC REPORTS, v. 6, JAN 29 2016. Citações Web of Science: 16.

DE SOUSA, J. M.; BRUNETTO, G.; COLUCI, V. R.; GALVAO, D. S. Torsional ``superplasticity{''} of graphyne nanotubes. Carbon, v. 96, p. 14-19, JAN 2016. Citações Web of Science: 12.

TIM, CARLA ROBERTA; BOSSINI, PAULO SERGIO; KIDO, HUELITON WILIAN; MALAVAZI, IRAN; VON ZESKA KRESS, MARCIA REGINA; CARAZZOLLE, MARCELO FALSARELLA; PARIZOTTO, NIVALDO ANTONIO; RENNO, ANA CLAUDIA. Effects of low level laser therapy on inflammatory and angiogenic gene expression during the process of bone healing: A microarray analysis. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY, v. 154, p. 8-15, JAN 2016. Citações Web of Science: 6.

DE SOUSA, J. M.; BOTARI, T.; PERIM, E.; BIZAO, R. A.; GALVAO, DOUGLAS S. Mechanical and structural properties of graphene-like carbon nitride sheets. RSC ADVANCES, v. 6, n. 80 2016. Citações Web of Science: 18.

DE SOUSA, J. M.; BOTARI, T.; PERIM, E.; BIZAO, R. A.; GALVAO, DOUGLAS S. Mechanical and structural properties of graphene-like carbon nitride sheets. RSC ADVANCES, v. 6, n. 80, p. 76915-76921, 2016. Citações Web of Science: 18.

DE SOUSA, JOSE MOREIRA; MACHADO, LEONARDO DANTAS; WOELLNER, CRISTIANO FRANCISCO; DA SILVA AUTRETO, PEDRO ALVES; GALVAO, DOUGLAS S. Carbon Nanoscrolls at High Impacts: A Molecular Dynamics Investigation. MRS ADVANCES, v. 1, n. 20, p. 1423-1428, 2016. Citações Web of Science: 0.

GAUTAM, CHANDKIRAM; TIWARY, CHANDRA SEKHAR; MACHADO, LEONARDO D.; JOSE, SUJIN; OZDEN, SEHMUS; BIRADAR, SANTOSHKUMAR; GALVAO, DOUGLAS S.; SONKER, RAKESH K.; YADAV, B. C.; VAJTAI, ROBERT; AJAYAN, P. M. Synthesis and porous h-BN 3D architectures for effective humidity and gas sensors. RSC ADVANCES, v. 6, n. 91, p. 87888-87896, 2016. Citações Web of Science: 7.

JAQUES, YGOR M.; BRUNETTO, GUSTAVO; GALVAO, DOUGLAS S. Nanodroplets Impacting on Graphene. MRS ADVANCES, v. 1, n. 10, p. 675-680, 2016. Citações Web of Science: 2.

JOSE, SUJIN P.; TIWARY, CHANDRA SEKHAR; KOSOLWATTANA, SUPPANAT; RAGHAVAN, PRASANTH; MACHADO, LEONARDO D.; GAUTAM, CHANDKIRAM; PRASANKUMAR, T.; JOYNER, JARIN; OZDEN, SEHMUS; GALVAO, DOUGLAS S.; AJAYAN, P. M. Enhanced supercapacitor performance of a 3D architecture tailored using atomically thin rGO-MoS2 2D sheets. RSC ADVANCES, v. 6, n. 96, p. 93384-93393, 2016. Citações Web of Science: 15.

WOELLNER, CRISTIANO FRANCISCO; DA SILVA AUTRETO, PEDRO ALVES; GALVAO, DOUGLAS S. One Side-Graphene Hydrogenation (Graphone): Substrate Effects. MRS ADVANCES, v. 1, n. 20, p. 1429-1434, 2016. Citações Web of Science: 3.

BAUDET, CHRISTIAN; DIAS, ULISSES; DIAS, ZANONI. Sorting by weighted inversions considering length and symmetry. BMC Bioinformatics, v. 16, n. 19 DEC 16 2015. Citações Web of Science: 3.

GAUTAM, CHANDKIRAM; TIWARY, CHANDRA SEKHAR; LOSE, SUJIN; BRUNETTO, GUSTAVO; OZDEN, SEHMUS; VINOD, SOUMYA; RAGHAVAN, PRASANTH; BIRADAR, SANTOSHKUMAR; GALVAO, DOUGLAS SOARES; AJAYAN, PULICKEL M. Synthesis of Low-Density, Carbon-Doped, Porous Hexagonal Boron Nitride Solids. ACS NANO, v. 9, n. 12, p. 12088-12095, DEC 2015. Citações Web of Science: 29.

TIM, CARLA ROBERTA; BOSSINI, PAULO SERGIO; KIDO, HUELITON WILIAN; MALAVAZI, IRAN; VON ZESKA KRESS, MARCIA REGINA; CARAZZOLLE, MARCELO FALSARELLA; PARIZOTTO, NIVALDO ANTONIO; RENN, ANA CLAUDIA. Effects of low-level laser therapy on the expression of osteogenic genes during the initial stages of bone healing in rats: a microarray analysis. Lasers in Medical Science, v. 30, n. 9, p. 2325-2333, DEC 2015. Citações Web of Science: 9.

PICELLI, R.; VICENTE, W. M.; PAVANELLO, R.; XIE, Y. M. Evolutionary topology optimization for natural frequency maximization problems considering acoustic-structure interaction. FINITE ELEMENTS IN ANALYSIS AND DESIGN, v. 106, p. 56-64, NOV 15 2015. Citações Web of Science: 16.

SILVA, MARCOS V. D.; CUSTODIO, ROGERIO; MIRANDA REIS, MIRIA HESPANHOL. Determination of Enthalpies of Formation of Fatty Acids and Esters by Density Functional Theory Calculations with an Empirical Correction. Industrial & Engineering Chemistry Research, v. 54, n. 39, p. 9545-9549, OCT 7 2015. Citações Web of Science: 1.

PICELLI, R.; VICENTE, W. M.; PAVANELLO, R. Bi-directional evolutionary structural optimization for design-dependent fluid pressure loading problems. ENGINEERING OPTIMIZATION, v. 47, n. 10, p. 1324-1342, OCT 3 2015. Citações Web of Science: 13.

HEERDT, GABRIEL; PEREIRA, DOUGLAS HENRIQUE; CUSTODIO, ROGERIO; MORGON, NELSON HENRIQUE. W1CEP theory for computational thermochemistry. COMPUTATIONAL AND THEORETICAL CHEMISTRY, v. 1067, p. 84-92, SEP 1 2015. Citações Web of Science: 7.

CHAKRAVARTY, DIBYENDU; TIWARY, CHANDRA SEKHAR; MACHADO, LEONARDO DANTAS; BRUNETTO, GUSTAVO; VINOD, SOUMYA; YADAV, RAM MANOHAR; GALVAO, DOUGLAS S.; JOSHI, SHRIKANT V.; SUNDARARAJAN, GOVINDAN; AJAYAN, PULICKEL M. Zirconia-Nanoparticle-Reinforced Morphology-Engineered Graphene-Based Foams. Advanced Materials, v. 27, n. 31, p. 4534-4543, AUG 19 2015. Citações Web of Science: 19.

KEYSHAR, KUNTTAL; GONG, YONGJI; YE, GONGLAN; BRUNETTO, GUSTAVO; ZHOU, WU; COLE, DANIEL P.; HACKENBERG, KEN; HE, YONGMIN; MACHADO, LEONARDO; KABBANI, MOHAMAD; HART, AMELIA H. C.; LI, BO; GALVAO, DOUGLAS S.; GEORGE, ANTONY; VAJTAI, ROBERT; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M. Chemical Vapor Deposition of Monolayer Rhenium Disulfide (ReS2). Advanced Materials, v. 27, n. 31, p. 4640-4648, AUG 19 2015. Citações Web of Science: 104.

LINTZMAYER, CARLA NEGRI; FERTIN, GUILLAUME; DIAS, ZANONI. Approximation algorithms for sorting by length-weighted prefix and suffix operations. THEORETICAL COMPUTER SCIENCE, v. 593, p. 26-41, AUG 16 2015. Citações Web of Science: 2.

PEREIRA, DOUGLAS HENRIQUE; ROMERO ROCHA, CARLOS MURILO; MORGON, NELSON HENRIQUE; CUSTODIO, ROGERIO. G3(MP2)-CEP theory and applications for compounds containing atoms from representative first, second and third row elements of the periodic table. Journal of Molecular Modeling, v. 21, n. 8 AUG 2015. Citações Web of Science: 4.

LIU, Z. F.; FANG, S.; MOURA, F. A.; DING, J. N.; JIANG, N.; DI, J.; ZHANG, M.; LEPRO, X.; GALVAO, D. S.; HAINES, C. S.; YUAN, N. Y.; YIN, S. G.; LEE, D. W.; WANG, R.; WANG, H. Y.; LV, W.; DONG, C.; ZHANG, R. C.; CHEN, M. J.; YIN, Q.; CHONG, Y. T.; ZHANG, R.; WANG, X.; LIMA, M. D.; OVALLE-ROBLES, R.; QIAN, D.; LU, H.; BAUGHMAN, R. H. Hierarchically buckled sheath-core fibers for superelastic electronics, sensors, and muscles. Science, v. 349, n. 6246, p. 400-404, JUL 24 2015. Citações Web of Science: 160.

SILVEIRA, RODRIGO L.; SKAF, MUNIR S. Molecular Dynamics Simulations of Family 7 Cellobiohydrolase Mutants Aimed at Reducing Product Inhibition. Journal of Physical Chemistry B, v. 119, n. 29, p. 9295-9303, JUL 23 2015. Citações Web of Science: 16.

GARCEZ, K. M. S.; ANTONELLI, A. Polyamorphism in tetrahedral substances: Similarities between silicon and ice. Journal of Chemical Physics, v. 143, n. 3 JUL 21 2015. Citações Web of Science: 1.

MOTTIN, MELINA; SOUZA, PAULO C. T.; SKAF, MUNIR S. Molecular Recognition of PPAR gamma by Kinase Cdk5/p25: Insights from a Combination of Protein-Protein Docking and Adaptive Biasing Force Simulations. Journal of Physical Chemistry B, v. 119, n. 26, p. 8330-8339, JUL 2 2015. Citações Web of Science: 7.

CANO-MARQUEZ, ABRAHAM G.; SCHMIDT, WESLLER G.; RIBEIRO-SOARES, JENAINA; CANCADO, LUIZ GUSTAVO; RODRIGUES, WAGNER N.; SANTOS, ADELINA P.; FURTADO, CLASCIDIA A.; AUTRETO, PEDRO A. S.; PAUPITZ, RICARDO; GALVAO, DOUGLAS S.; JORIO, ADO. Enhanced Mechanical Stability of Gold Nanotips through Carbon Nanocone Encapsulation. SCIENTIFIC REPORTS, v. 5, JUN 17 2015. Citações Web of Science: 9.

KABBANI, MOHAMAD A.; TIWARY, CHANDRA SEKHAR; AUTRETO, PEDRO A. S.; BRUNETTO, GUSTAVO; SOM, ANIRBAN; KRISHNADAS, K. R.; OZDEN, SEHMUS; HACKENBERG, KEN P.; GONG, YONGI; GALVAO, DOUGLAS S.; VAJTAI, ROBERT; KABBANI, AHMAD T.; PRADEEP, THALAPPIL; AJAYAN, PULICKEL M. Ambient solid-state mechano-chemical reactions between functionalized carbon nanotubes. NATURE COMMUNICATIONS, v. 6, JUN 2015. Citações Web of Science: 21.

ANDRADE, N. F.; AGUIAR, A. L.; KIM, Y. A.; ENDO, M.; FREIRE, P. T. C.; BRUNETTO, G.; GALVAO, D. S.; DRESSELHAUS, M. S.; SOUZA FILHO, A. G. Linear Carbon Chains under High-Pressure Conditions. Journal of Physical Chemistry C, v. 119, n. 19, p. 10669-10676, MAY 14 2015. Citações Web of Science: 21.

PEREIRA, JORGE F.; ARAUJO, ELZA F.; BROMMONSCHENKEL, SERGIO H.; QUEIROZ, CASLEY B.; COSTA, GUSTAVO G. L.; CARAZZOLLE, MARCELO F.; PEREIRA, GONCALO A. G.; QUEIROZ, MARISA V. MpSaci is a widespread gypsy-Ty3 retrotransposon highly represented by non-autonomous copies in the Moniliophthora perniciosa genome. CURRENT GENETICS, v. 61, n. 2, p. 185-202, MAY 2015. Citações Web of Science: 2.

GELIUS, LEIV-J.; TYGEL, MARTIN. Migration-velocity building in time and depth from 3D (2D) Common-Reflection-Surface (CRS) stacking - theoretical framework. STUDIA GEOPHYSICA ET GEODAETICA, v. 59, n. 2, p. 253-282, APR 2015. Citações Web of Science: 7.

GALVAO, GUSTAVO RODRIGUES; LEE, ORLANDO; DIAS, ZANONI. Sorting signed permutations by short operations. Algorithms for Molecular Biology, v. 10, MAR 25 2015. Citações Web of Science: 6.

LAGOS, M. J.; AUTRETO, P. A. S.; BETTINI, J.; SATO, F.; DANTAS, S. O.; GALVAO, D. S.; UGARTE, D. Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains. Journal of Applied Physics, v. 117, n. 9 MAR 7 2015. Citações Web of Science: 3.

SILVEIRA, RODRIGO L.; STOYANOV, STANISLAV R.; GUSAROV, SERGEY; SKAF, MUNIR S.; KOVALENKO, ANDRIY. Supramolecular Interactions in Secondary Plant Cell Walls: Effect of Lignin Chemical Composition Revealed with the Molecular Theory of Solvation. Journal of Physical Chemistry Letters, v. 6, n. 1, p. 206-211, JAN 1 2015. Citações Web of Science: 28.

ROGÉRIO CUSTODIO. UMA FORMA SIMPLIFICADA DE DEDUZIR AS EQUAÇÕES DE HARTREE E HARTREE-FOCK. Química Nova, v. 38, n. 7, p. -, Ago. 2015.

FRANCO PINHEIRO MOREIRA, PEDRO AUGUSTO; DE KONING, MAURICE. Nuclear quantum fluctuations in ice I-h. Physical Chemistry Chemical Physics, v. 17, n. 38, p. 24716-24721, 2015. Citações Web of Science: 7.

LABAKI, J.; MESQUITA, E.; RAJAPAKSE, R. K. N. D. Vertical Vibrations of an Elastic Foundation with Arbitrary Embedment within a Transversely Isotropic, Layered Soil. CMES-COMPUTER MODELING IN ENGINEERING & SCIENCES, v. 103, n. 5, p. 281-313, DEC 2014. Citações Web of Science: 0.

ROMERO ROCHA, CARLOS MURILO; ROSARIO RODRIGUES, JOSE AUGUSTO; SAMENHO MORAN, PAULO JOSE; CUSTODIO, ROGERIO. An interpretation of the phenol nitration mechanism in the gas phase using G3(MP2)//B3-CEP theory. Journal of Molecular Modeling, v. 20, n. 12 DEC 2014. Citações Web of Science: 4.

LEPIKSON-NETO, JORGE; NASCIMENTO, LEANDRO C.; SALAZAR, MARCELA M.; CAMARGO, EDUARDO L. O.; CAIRO, JOAO P. F.; TEIXEIRA, PAULO J.; MARQUES, WESLEY L.; SQUINA, FABIO M.; MIECZKOWSKI, PIOTR; DECKMANN, ANA C.; PEREIRA, GONCALO A. G. Flavonoid supplementation affects the expression of genes involved in cell wall formation and lignification metabolism and increases sugar content and saccharification in the fast-growing eucalyptus hybrid E-urophylla x E-grandis. BMC PLANT BIOLOGY, v. 14, NOV 19 2014. Citações Web of Science: 5.

PERIM, E.; PAUPITZ, R.; AUTRETO, P. A. S.; GALVAO, D. S. Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap. Journal of Physical Chemistry C, v. 118, n. 41, p. 23670-23674, OCT 16 2014. Citações Web of Science: 35.

AUTRETO, P. A. S.; DE SOUSA, J. M.; GALVAO, D. S. Site-dependent hydrogenation on graphdiyne. Carbon, v. 77, p. 829-834, OCT 2014. Citações Web of Science: 15.

COSTA, FILIPE DE O.; OIKAWA, MARINA A.; DIAS, ZANONI; GOLDENSTEIN, SIOME; ROCHA, ANDERSON DE REZENDE. Image Phylogeny Forests Reconstruction. IEEE Transactions on Information Forensics and Security, v. 9, n. 10, p. 1533-1546, OCT 2014. Citações Web of Science: 21.

OLIVEIRA CAMARGO, EDUARDO LEAL; NASCIMENTO, LEANDRO COSTA; SOLER, MARCAL; SALAZAR, MARCELA MENDES; LEPIKSON-NETO, JORGE; MARQUES, WESLEY LEORICY; ALVES, ANA; PEREIRA LIMA TEIXEIRA, PAULO JOSE; MIECZKOWSKI, PIOTR; CARAZZOLLE, MARCELO FALSARELLA; MARTINEZ, YVES; DECKMANN, ANA CAROLINA; RODRIGUES, JOSE CARLOS; GRIMA-PETTENATI, JACQUELINE; GUIMARAES PEREIRA, GONCALO AMARANTE. Contrasting nitrogen fertilization treatments impact xylem gene expression and secondary cell wall lignification in Eucalyptus. BMC PLANT BIOLOGY, v. 14, SEP 28 2014. Citações Web of Science: 14.

PERIM, ERIC; GALVAO, DOUGLAS S. Novel Nanoscroll Structures from Carbon Nitride Layers. ChemPhysChem, v. 15, n. 11, p. 2367-2371, AUG 4 2014. Citações Web of Science: 8.

BUSSE-WICHER, MARTA; GOMES, THIAGO C. F.; TRYFONA, THEODORA; NIKOLOVSKI, NINO; STOTT, KATHERINE; GRANTHAM, NICHOLAS J.; BOLAM, DAVID N.; SKAF, MUNIR S.; DUPREE, PAUL. The pattern of xylan acetylation suggests xylan may interact with cellulose microfibrils as a twofold helical screw in the secondary plant cell wall of Arabidopsis thaliana. Plant Journal, v. 79, n. 3, p. 492-506, AUG 2014. Citações Web of Science: 94.

OZDEN, SEHMUS; AUTRETO, PEDRO A. S.; TIWARY, CHANDRA SEKHAR; KHATIWADA, SUMAN; MACHADO, LEONARDO; GALVAO, DOUGLAS S.; VAJTAI, ROBERT; BARRERA, ENRIQUE V.; AJAYAN, PULICKEL M. Unzipping Carbon Nanotubes at High Impact. Nano Letters, v. 14, n. 7, p. 4131-4137, JUL 2014. Citações Web of Science: 36.

CARAZZOLLE, MARCELO FALSARELLA; DE CARVALHO, LUCAS MIGUEL; SLEPICKA, HUGO HENRIQUE; VIDAL, RAMON OLIVEIRA; GUIMARAES PEREIRA, GONCALO AMARANTE; KOBARG, JOERG; MEIRELLES, GABRIELA VAZ. IIS - Integrated Interactome System: A Web-Based Platform for the Annotation, Analysis and Visualization of Protein-Metabolite-Gene-Drug Interactions by Integrating a Variety of Data Sources and Tools. PLoS One, v. 9, n. 6 JUN 20 2014. Citações Web of Science: 25.

LANDINEZ BORDA, EDGAR JOSUE; CAI, WEI; DE KONING, MAURICE. Ideal Shear Strength of a Quantum Crystal. Physical Review Letters, v. 112, n. 15 APR 17 2014. Citações Web of Science: 5.

PEREIRA, DOUGLAS HENRIQUE; DUCATI, LUCAS COLUCCI; RITTNER, ROBERTO; CUSTODIO, ROGERIO. A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories. Journal of Molecular Modeling, v. 20, n. 4 APR 2014. Citações Web of Science: 6.

SOUZA, P. C. T.; PUHL, A. C.; MARTINEZ, L.; APARICIO, R.; NASCIMENTO, A. S.; FIGUEIRA, A. C. M.; NGUYEN, P.; WEBB, P.; SKAF, M. S.; POLIKARPOV, I. Identification of a New Hormone-Binding Site on the Surface of Thyroid Hormone Receptor. MOLECULAR ENDOCRINOLOGY, v. 28, n. 4, p. 534-545, APR 2014. Citações Web of Science: 18.

MARONEZE, CAMILA M.; RAHIM, ABDUR; FATTORI, NATALIA; DA COSTA, LUIZ P.; SIGOLI, FERNANDO A.; MAZALI, ITALO O.; CUSTODIO, ROGERIO; GUSHIKEM, YOSHITAKA. Electroactive Properties of 1-propyl-3-methylimidazolium Ionic Liquid Covalently Bonded on Mesoporous Silica Surface: Development of an Electrochemical Sensor Probed for NADH, Dopamine and Uric Acid Detection. Electrochimica Acta, v. 123, p. 435-440, MAR 20 2014. Citações Web of Science: 13.

PERIM, E.; FONSECA, A. F.; PUGNO, N. M.; GALVAO, D. S. Violation of the universal behavior of membranes inside cylindrical tubes at nanoscale. EPL, v. 105, n. 5 MAR 2014. Citações Web of Science: 2.

MEINHARDT, LYNDEL W.; LACERDA COSTA, GUSTAVO GILSON; THOMAZELLA, DANIELA P. T.; TEIXEIRA, PAULO JOSE P. L.; CARAZZOLLE, MARCELO FALSARELLA; SCHUSTER, STEPHAN C.; CARLSON, JOHN E.; GUILTINAN, MARK J.; MIECZKOWSKI, PIOTR; FARMER, ANDREW; RAMARAJ, THIRUVARANGAN; CROZIER, JAYNE; DAVIS, ROBERT E.; SHAO, JONATHAN; MELNICK, RACHEL L.; PEREIRA, GONCALO A. G.; BAILEY, BRYAN A. Genome and secretome analysis of the hemibiotrophic fungal pathogen, Moniliophthoraroreri, which causes frosty pod rot disease of cacao: mechanisms of the biotrophic and necrotrophic phases. BMC Genomics, v. 15, FEB 27 2014. Citações Web of Science: 40.

GARCEZ, K. M. S.; ANTONELLI, A. Pressure-induced transformations in amorphous silicon: A computational study. Journal of Applied Physics, v. 115, n. 6 FEB 14 2014. Citações Web of Science: 1.

BOTARI, T.; PERIM, E.; AUTRETO, P. A. S.; VAN DUIN, A. C. T.; PAUPITZ, R.; GALVAO, D. S. Mechanical properties and fracture dynamics of silicene membranes. Physical Chemistry Chemical Physics, v. 16, n. 36, p. 19417-19423, 2014. Citações Web of Science: 31.

GALVAO, GUSTAVO RODRIGUES; DIAS, ZANONI. On Alternative Approaches for Approximating the Transposition Distance. JOURNAL OF UNIVERSAL COMPUTER SCIENCE, v. 20, n. 9, p. 1259-1283, 2014. Citações Web of Science: 0.

PERIM, E.; PAUPITZ, R.; BOTARI, T.; GALVAO, D. S. One-dimensional silicon and germanium nanostructures with no carbon analogues. Physical Chemistry Chemical Physics, v. 16, n. 44, p. 24570-24574, 2014. Citações Web of Science: 0.

SILVEIRA, RODRIGO L.; STOYANOV, STANISLAV R.; GUSAROV, SERGEY; SKAF, MUNIR S.; KOVALENKO, ANDRIY. Plant Biomass Recalcitrance: Effect of Hemicellulose Composition on Nanoscale Forces that Control Cell Wall Strength. Journal of the American Chemical Society, v. 135, n. 51, p. 19048-19051, DEC 25 2013. Citações Web of Science: 51.

CAJAHUARINGA, SAMUEL; DE KONING, MAURICE; ANTONELLI, ALEX. Revisiting dynamics near a liquid-liquid phase transition in Si and Ga: The fragile-to-strong transition. Journal of Chemical Physics, v. 139, n. 22 DEC 14 2013. Citações Web of Science: 7.

ROMERO ROCHA, CARLOS MURILO; PEREIRA, DOUGLAS HENRIQUE; MORGON, NELSON HENRIQUE; CUSTODIO, ROGERIO. Assessment of G3(MP2)//B3 theory including a pseudopotential for molecules containing first-, second-, and third-row representative elements. Journal of Chemical Physics, v. 139, n. 18 NOV 14 2013. Citações Web of Science: 10.

PERIM, E.; AUTRETO, P. A. S.; PAUPITZ, R.; GALVAO, D. S. Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes. Physical Chemistry Chemical Physics, v. 15, n. 44, p. 19147-19150, 2013. Citações Web of Science: 4.

Publicações acadêmicas

(Referências obtidas automaticamente das Instituições de Ensino e Pesquisa do Estado de São Paulo)

SKAF, Munir Salomao. . 2017. Dissertação de Mestrado - Universidade Estadual de Campinas, Faculdade de Odontologia de Piracicaba.