YANG, HUAN; BANDARKAR, PRASAD; HORNE, RANSOM; LEITE, VITOR B. P.; CHAHINE, JORGE; WHITFORD, PAUL C.. Diffusion of tRNA inside the ribosome is position-dependent. Journal of Chemical Physics, v. 151, n. 8, AUG 28 2019. Citações Web of Science: 0. (16/19766-1, 14/50739-5, 18/18668-1)
HERNANDEZ GONZALEZ, JORGE ENRIQUE; ALVAREZ, LILIAN HERNANDEZ; PASCUTTI, PEDRO GERALDO; LEITE, VITOR B. P.. Prediction of Noncompetitive Inhibitor Binding Mode Reveals Promising Site for Allosteric Modulation of Falcipain-2. Journal of Physical Chemistry B, v. 123, n. 34, SI, p. 7327-7342, AUG 29 2019. Citações Web of Science: 0. (16/24587-9, 18/03911-8)
VINÍCIUS DE GODOI CONTESSOTO; ANTONIO BENTO DE OLIVEIRA JUNIOR; JORGE CHAHINE; RONALDO JUNIO DE OLIVEIRA; VITOR BARBANTI PEREIRA LEITE. Introdução ao problema de enovelamento de proteínas: uma abordagem utilizando modelos computacionais simplificados. Revista Brasileira de Ensino de Física, v. 40, n. 4, p. -, 2018. (16/19766-1, 17/09662-7, 16/13998-8, 14/06862-7)
DE OLIVEIRA, VINICIUS MARTINS; CONTESSOTO, VINICIUS DE GODOI; DA SILVA, FERNANDO BRUNO; ZAGO CAETANO, DANIEL LUCAS; DE CARVALHO, SIDNEY JURADO; PEREIRA LEITE, VITOR BARBANTI. Effects of pH and Salt Concentration on Stability of a Protein G Variant Using Coarse-Grained Models. BIOPHYSICAL JOURNAL, v. 114, n. 1, p. 65-75, JAN 9 2018. Citações Web of Science: 8. (16/19766-1, 17/09662-7, 13/13151-7, 14/06862-7, 16/13998-8)
ALVAREZ, LILIAN HERNANDEZ; BARRETO GOMES, DIEGO ENRY; HERNANDEZ GONZALEZ, JORGE ENRIQUE; PASCUTTI, PEDRO GERALDO. Dissecting a novel allosteric mechanism of cruzain: A computer-aided approach. PLoS One, v. 14, n. 1, JAN 25 2019. Citações Web of Science: 3. (16/24587-9, 18/03911-8)
OLIVEIRA, JR., ANTONIO B.; YANG, HUAN; WHITFORD, PAUL C.; LEITE, VITOR B. P.. Distinguishing Biomolecular Pathways and Metastable States. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 15, n. 11, p. 6482-6490, NOV 2019. Citações Web of Science: 1. (16/19766-1, 14/50739-5, 18/18668-1)
CONTESSOTO, VINICIUS G.; DE OLIVEIRA, VINICIUS M.; FERNANDES, BRUNO R.; SLADE, GABRIEL G.; LEITE, VITOR B. P.. TKSA-MC: A web server for rational mutation through the optimization of protein charge interactions. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, v. 86, n. 11, p. 1184-1188, NOV 2018. Citações Web of Science: 2. (16/19766-1, 17/09662-7, 14/06862-7, 16/13998-8)
LIMA, ANGELICA NAKAGAWA; DE OLIVEIRA, RONALDO JUNIO; KIMUS BRAZ, ANTONIO SERGIO; DE SOUZA COSTA, MAURICIO GARCIA; PERAHIA, DAVID; BARBOUR SCOTT, LUIS PAULO. Effects of pH and aggregation in the human prion conversion into scrapie form: a study using molecular dynamics with excited normal modes. EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, v. 47, n. 5, p. 583-590, JUL 2018. Citações Web of Science: 1. (11/17658-3)
DAMASIO, ANDRE R. L.; RUBIO, MARCELO V.; OLIVEIRA, LEANDRO C.; SEGATO, FERNANDO; DIAS, BRUNO A.; CITADINI, ANA P.; PAIXAO, DOUGLAS A.; SQUINA, FABIO M.. Understanding the Function of Conserved Variations in the Catalytic Loops of Fungal Glycoside Hydrolase Family 12. Biotechnology and Bioengineering, v. 111, n. 8, p. 1494-1505, AUG 2014. Citações Web of Science: 12. (11/13242-7, 12/12859-3, 08/58037-9)
COTA, JUNIO; OLIVEIRA, LEANDRO C.; DAMASIO, ANDRE R. L.; CITADINI, ANA P.; HOFFMAM, ZAIRA B.; ALVAREZ, THABATA M.; CODIMA, CARLA A.; LEITE, VITOR B. P.; PASTORE, GLAUCIA; DE OLIVEIRA-NETO, MARIO; et al. Assembling a xylanase-lichenase chimera through all-atom molecular dynamics simulations. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, v. 1834, n. 8, p. 1492-1500, AUG 2013. Citações Web of Science: 15. (11/13242-7, 08/58037-9, 11/02169-7)
HOFFMAM, ZAIRA B.; OLIVEIRA, LEANDRO C.; COTA, JUNIO; ALVAREZ, THABATA M.; DIOGO, JOS A.; NETO, MARIO DE OLIVEIRA; CITADINI, ANA PAULA S.; LEITE, VITOR B. P.; SQUINA, FABIO M.; MURAKAMI, MARIO T.; et al. Characterization of a Hexameric Exo-Acting GH51 alpha-l-Arabinofuranosidase from the Mesophilic Bacillus subtilis. MOLECULAR BIOTECHNOLOGY, v. 55, n. 3, p. 260-267, NOV 2013. Citações Web of Science: 6. (11/13242-7, 10/51890-8, 11/14200-6, 11/17658-3, 08/58037-9)
DE OLIVEIRA, VINICIUS M.; CAETANO, DANIEL L. Z.; DA SILVA, FERNANDO B.; MOURO, PAULO R.; DE OLIVEIRA, JR., ANTONIO B.; DE CARVALHO, SIDNEY J.; LEITE, VITOR B. P.. pH and Charged Mutations Modulate Cold Shock Protein Folding and Stability: A Constant pH Monte Carlo Study. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 16, n. 1, p. 765-772, JAN 2020. Citações Web of Science: 0. (16/19766-1, 18/18668-1, 18/11614-3, 18/01841-2)
MARIUTTI, RICARDO B.; HERNANDEZ-GONZALEZ, JORGE E.; NASCIMENTO, ANDREY F. Z.; DE MORAIS, MARIANA A. B.; MURAKAMI, MARIO T.; CARARETO, CLAUDIA M. A.; ARNI, RAGHUVIR K.. A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor. BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, v. 1864, n. 7, JUL 2020. Citações Web of Science: 0. (16/19995-0, 16/24587-9, 18/10736-8, 18/07977-3, 15/18868-2, 15/13765-0)
DODERO-ROJAS, ESTEBAN; FERREIRA, LUIZA G.; LEITE, VITOR B. P.; ONUCHIC, JOSE N.; CONTESSOTO, VINICIUS G.. Modeling Chikungunya control strategies and Mayaro potential outbreak in the city of Rio de Janeiro. PLoS One, v. 15, n. 1, JAN 28 2020. Citações Web of Science: 0. (17/09662-7, 18/18668-1, 16/13998-8)
POLOTTO, FRANCIELE; DRIGO FILHO, ELSO; CHAHINE, JORGE; DE OLIVEIRA, RONALDO JUNIO. Supersymmetric quantum mechanics method for the Fokker-Planck equation with applications to protein folding dynamics. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, v. 493, p. 286-300, MAR 1 2018. Citações Web of Science: 4. (11/17658-3)
DA SILVA, FERNANDO B.; DE OLIVEIRA, VINICIUS M.; SANCHES, MURILO N.; CONTESSOTO, VINICIUS G.; LEITE, VITOR B. P.. Rational Design of Chymotrypsin Inhibitor 2 by Optimizing Non-Native Interactions. JOURNAL OF CHEMICAL INFORMATION AND MODELING, v. 60, n. 2, p. 982-988, FEB 2020. Citações Web of Science: 1. (16/19766-1, 16/13998-8, 17/09662-7, 18/11614-3, 17/25130-5, 18/18668-1)
DA SILVA, FERNANDO BRUNO; CONTESSOTO, VINICIUS G.; DE OLIVEIRA, VINICIUS M.; CLARKE, JANE; LEITE, VITOR B. P.. Non-Native Cooperative Interactions Modulate Protein Folding Rates. Journal of Physical Chemistry B, v. 122, n. 48, p. 10817-10824, DEC 6 2018. Citações Web of Science: 3. (16/19766-1, 17/09662-7, 16/13998-8, 14/06862-7, 18/11614-3)
BRUNI, ALINE THAIS; MARIZ DE CARVALHO, PEDRO OLIVEIRA; PINKE RODRIGUES, CAIO HENRIQUE; PEREIRA LEITE, VITOR BARBANTI. In silico methods in forensic science: Quantum chemistry and multivariate analysis applied to infrared spectra of new amphetamine- and cathinone-derived psychoactive substances. FORENSIC CHEMISTRY, v. 9, p. 21-34, JUN 2018. Citações Web of Science: 2. (16/19766-1)
COLUSSI, FRANCIELI; DA SILVA, VIVIAM M.; MILLER, IAN; COTA, JUNIO; DE OLIVEIRA, LEANDRO C.; DE OLIVEIRA NETO, MARIO; SQUINA, FABIO M.; GARCIA, WANIUS. Oligomeric state and structural stability of two hyperthermophilic beta-glucosidases from Thermotoga petrophila. Amino Acids, v. 47, n. 5, p. 937-948, MAY 2015. Citações Web of Science: 8. (11/13242-7, 12/03503-0, 08/58037-9, 12/21054-9)
DE OLIVEIRA, LEANDRO C.; DA SILVA, VIVIAM M.; COLUSSI, FRANCIELI; CABRAL, ALINE D.; DE OLIVEIRA NETO, MARIO; SQUINA, FABIO M.; GARCIA, WANIUS. Conformational Changes in a Hyperthermostable Glycoside Hydrolase: Enzymatic Activity Is a Consequence of the Loop Dynamics and Protonation Balance. PLoS One, v. 10, n. 2, FEB 27 2015. Citações Web of Science: 16. (12/21054-9, 11/13242-7, 08/58037-9, 12/03503-0)
MANDELLI, F.; FRANCO CAIRO, J. P. L.; CITADINI, A. P. S.; BUECHLI, F.; ALVAREZ, T. M.; OLIVEIRA, R. J.; LEITE, V. B. P.; PAES LEME, A. F.; MERCADANTE, A. Z.; SQUINA, F. M.. The characterization of a thermostable and cambialistic superoxide dismutase from Thermus filiformis. Letters in Applied Microbiology, v. 57, n. 1, p. 40-46, JUL 2013. Citações Web of Science: 10. (11/17658-3, 08/58037-9)
FREITAS, FREDERICO CAMPOS; LIMA, ANGELICA NAKAGAWA; CONTESSOTO, VINICIUS DE GODOI; WHITFORD, PAUL C.; DE OLIVEIRA, RONALDO JUNIO. Drift-diffusion (DrDiff) framework determines kinetics and thermodynamics of two-state folding trajectory and tunes diffusion models. Journal of Chemical Physics, v. 151, n. 11, SEP 21 2019. Citações Web of Science: 0. (17/09662-7, 16/13998-8)
HERNANDEZ-GONZALEZ, JORGE E.; SALAS-SARDUY, EMIR; HERNANDEZ RAMIREZ, LUISA F.; PASCUAL, MARIA J.; ALVAREZ, DIEGO E.; PABON, ADRIANA; LEITE, VITOR B. P.; PASCUTTI, PEDRO G.; VALIENTE, PEDRO A.. Identification of (4-(9H-fluoren-9-yl) piperazin-1-yl) methanone derivatives as falcipain 2 inhibitors active against Plasmodium falciparum cultures. BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, v. 1862, n. 12, p. 2911-2923, DEC 2018. Citações Web of Science: 1. (16/24587-9)
TAMBONIS, TIAGO; BOARETO, MARCELO; LEITE, VITOR B. P.. Differential Expression Analysis in RNA-seq Data Using a Geometric Approach. JOURNAL OF COMPUTATIONAL BIOLOGY, v. 25, n. 11, p. 1257-1265, NOV 2018. Citações Web of Science: 0. (16/19766-1, 14/06862-7)
CORONADO, MONIKA A.; CARUSO, ICARO P.; DE OLIVEIRA, VINICIUS M.; CONTESSOTO, VINICIUS G.; LEITE, VITOR B. P.; KAWAI, LIEGE A.; ARNI, RAGHUVIR K.; EBERLE, RAPHAEL J.. Cold Shock Protein A from Corynebacterium pseudotuberculosis: Role of Electrostatic Forces in the Stability of the Secondary Structure. PROTEIN AND PEPTIDE LETTERS, v. 24, n. 4, p. 358-367, 2017. Citações Web of Science: 6. (16/08104-8, 14/06862-7)
COTA, JUNIO; CORREA, THAMY L. R.; DAMASIO, ANDRE R. L.; DIOGO, JOSE A.; HOFFMAM, ZAIRA B.; GARCIA, WANIUS; OLIVEIRA, LEANDRO C.; PRADE, ROLF A.; SQUINA, FABIO M.. Comparative analysis of three hyperthermophilic GH1 and GH3 family members with industrial potential. NEW BIOTECHNOLOGY, v. 32, n. 1, p. 13-20, JAN 25 2015. Citações Web of Science: 22. (11/13242-7, 12/21054-9, 08/58037-9, 10/18198-3)
FRANCO CAIRO, JOAO PAULO L.; OLIVEIRA, LEANDRO C.; UCHIMA, CRISTIANE A.; ALVAREZ, THABATA M.; CITADINI, ANA PAULA DA S.; COTA, JUNIO; LEONARDO, FLAVIA COSTA; COSTA-LEONARDO, ANA M.; CARAZZOLLE, MARCELO F.; COSTA, FERNANDO F.; et al. Deciphering the synergism of endogenous glycoside hydrolase families 1 and 9 from Coptotermes gestroi. Insect Biochemistry and Molecular Biology, v. 43, n. 10, p. 970-981, OCT 2013. Citações Web of Science: 16. (11/20977-3, 11/13242-7, 12/19040-0, 11/08609-9, 10/11469-1, 08/58037-9)
ARAUJO, GABRIELA C.; SILVA, RICARDO H. T.; SCOTT, LUIS P. B.; ARAUJO, ALEXANDRE S.; SOUZA, FATIMA P.; DE OLIVEIRA, RONALDO JUNIO. Structure and functional dynamics characterization of the ion channel of the human respiratory syncytial virus (hRSV) small hydrophobic protein (SH) transmembrane domain by combining molecular dynamics with excited normal modes. Journal of Molecular Modeling, v. 22, n. 12, DEC 2016. Citações Web of Science: 7. (10/18169-3, 11/17658-3)
DE SOUZA, ANGELICA R.; DE ARAUJO, GABRIELA C.; ZANPHORLIN, LETICIA M.; RULLER, ROBERTO; FRANCO, FERNANDA C.; TORRES, FERNANDO A. G.; MERTENS, JEFFREY A.; BOWMAN, MICHAEL J.; GOMES, ELENI; DA SILVA, ROBERTO. Engineering increased thermostability in the GH-10 endo-1,4-beta-xylanase from Thermoascus aurantiacus CBMAI 756. International Journal of Biological Macromolecules, v. 93, n. A, p. 20-26, DEC 2016. Citações Web of Science: 8. (10/12624-0, 14/02080-4, 14/04272-8, 02/08355-8, 11/17658-3)
MOURO, PAULO RICARDO; CONTESSOTO, VINICIUS DE GODOI; CHAHINE, JORGE; DE OLIVEIRA, RONALDO JUNIO; PEREIRA LEITE, VITOR BARBANTI. Quantifying Nonnative Interactions in the Protein-Folding Free-Energy Landscape. BIOPHYSICAL JOURNAL, v. 111, n. 2, p. 287-293, JUL 26 2016. Citações Web of Science: 5. (14/06862-7)
HERNANDEZ GONZALEZ, JORGE ENRIQUE; ALVAREZ, LILIAN HERNANDEZ; PASCUTTI, PEDRO GERALDO; VALIENTE, PEDRO A.. Predicting binding modes of reversible peptide-based inhibitors of falcipain-2 consistent with structure-activity relationships. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, v. 85, n. 9, p. 1666-1683, SEP 2017. Citações Web of Science: 4. (16/24587-9)
MOURO, PAULO R.; POVINELLI, ANA P. R.; LEITE, VITOR B. P.; CHAHINE, JORGE. Exploring Folding Aspects of Monomeric Superoxide Dismutase. Journal of Physical Chemistry B, v. 124, n. 4, p. 650-661, JAN 30 2020. Citações Web of Science: 0. (16/19766-1, 18/18668-1)