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Correlations between dynamics, structure and function in protein: computer simulations and algorithms

Grant number: 10/16947-9
Support type:Regular Research Grants
Duration: December 01, 2010 - November 30, 2012
Field of knowledge:Biological Sciences - Biophysics
Principal Investigator:Leandro Martinez
Grantee:Leandro Martinez
Home Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil

Scientific publications (26)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
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. Web of Science Citations: 0.
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, NOV 2019. Web of Science Citations: 0.
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. Web of Science Citations: 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. Web of Science Citations: 3.
SIQUEIRA, TAYANE HONORATO; MARTINEZ, LEANDRO. Molecular simulations of fluconazole-mediated inhibition of sterol biosynthesis. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, MAY 2019. Web of Science Citations: 0.
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. Web of Science Citations: 2.
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. Web of Science Citations: 1.
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. Web of Science Citations: 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. Web of Science Citations: 6.
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. Web of Science Citations: 2.
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. Web of Science Citations: 2.
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. Web of Science Citations: 6.
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. Web of Science Citations: 0.
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. Web of Science Citations: 6.
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. Web of Science Citations: 5.
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. Web of Science Citations: 1.
MINO-GALAZ, GERMAN A. Allosteric Communication Pathways and Thermal Rectification in PDZ-2 Protein: A Computational Study. Journal of Physical Chemistry B, v. 119, n. 20, p. 6179-6189, MAY 21 2015. Web of Science Citations: 19.
MARTINEZ, LEANDRO. Introducing the Levinthal's Protein Folding Paradox and Its Solution. Journal of Chemical Education, v. 91, n. 11, p. 1918-1923, NOV 2014. Web of Science Citations: 4.
SEGATO, FERNANDO; BERTO, GABRIELA L.; DE ARAUJO, EVANDRO ARES; MUNIZ, JOAO RENATO; POLIKARPOV, IGOR. Expression, purification, crystallization and preliminary X-ray diffraction analysis of Aspergillus terreus endo-beta-1,4-glucanase from glycoside hydrolase family 12. ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS, v. 70, n. 2, p. 267-270, FEB 2014. Web of Science Citations: 3.
BATISTA, MARIANA R. B.; MARTINEZ, LEANDRO. Dynamics of Nuclear Receptor Helix-12 Switch of Transcription Activation by Modeling Time-Resolved Fluorescence Anisotropy Decays. BIOPHYSICAL JOURNAL, v. 105, n. 7, p. 1670-1680, OCT 1 2013. Web of Science Citations: 23.
LIMA, LEONARDO H. F.; SERPA, VIVIANE I.; ROSSETO, FLAVIO R.; SARTORI, GERALDO RODRIGUES; DE OLIVEIRA NETO, MARIO; MARTINEZ, LEANDRO; POLIKARPOV, IGOR. Small-angle X-ray scattering and structural modeling of full-length: cellobiohydrolase I from Trichoderma harzianum. Cellulose, v. 20, n. 4, p. 1573-1585, AUG 2013. Web of Science Citations: 7.
BIRGIN, ERNESTO G.; MARTINEZ, J. M.; MARTINEZ, LEANDRO; ROCHA, GERD B. Sparse Projected-Gradient Method As a Linear-Scaling Low-Memory Alternative to Diagonalization in Self-Consistent Field Electronic Structure Calculations. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 9, n. 2, p. 1043-1051, FEB 2013. Web of Science Citations: 10.
SILVEIRA, RODRIGO L.; MARTINEZ, JULIAN; SKAF, MUNIR S.; MARTINEZ, LEANDRO. Enzyme Microheterogeneous Hydration and Stabilization in Supercritical Carbon Dioxide. Journal of Physical Chemistry B, v. 116, n. 19, p. 5671-5678, MAY 17 2012. Web of Science Citations: 26.
BLEICHER, LUCAS; PRATES, ERICA T.; GOMES, THIAGO C. F.; SILVEIRA, RODRIGO L.; NASCIMENTO, ALESSANDRO S.; ROJAS, ADRIANA L.; GOLUBEV, ALEXANDER; MARTINEZ, LEANDRO; SKAF, MUNIR S.; POLIKARPOV, IGOR. Molecular Basis of the Thermostability and Thermophilicity of Laminarinases: X-ray Structure of the Hyperthermostable Laminarinase from Rhodothermus marinus and Molecular Dynamics Simulations. Journal of Physical Chemistry B, v. 115, n. 24, p. 7940-7949, JUN 23 2011. Web of Science Citations: 18.
Academic Publications
(References retrieved automatically from State of São Paulo Research Institutions)

Please report errors in scientific publications list by writing to: cdi@fapesp.br.