Pedro G. Pascutti - researchr alias

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Viewing Publication 1 - 11 from 11

2020

Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesteraseLuana G. de Souza, Paula F. Moraes, Raquel A. C. Leão, Paulo R. R. Costa, Rosemberg O. Soares, Pedro G. Pascutti, Jose D. Figueroa-Villar, Magdalena N. Rennó. CANDC, 87:107293, 2020. [doi]

2018

Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculationsLuan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira, Pedro G. Pascutti, Elio A. Cino, Rafaela Salgado Ferreira. jcamd, 32(5):591-605, 2018. [doi]

2010

New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexesPedro A. Valiente, Alejandro Gil L., Paulo R. Batista, Ernesto R. Caffarena, Tirso Pons, Pedro G. Pascutti. jcc, 31(15):2723-2734, 2010. [doi]

2008

Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous HydrolaseDiego E. B. Gomes, Roberto D. Lins, Pedro G. Pascutti, Tjerk P. Straatsma, Thereza A. Soares. wob 2008: 68-78 [doi]

2006

Generalized simulated annealing applied to protein folding studiesFlavia P. Agostini, Diogo De O. Soares-Pinto, Marcelo A. Moret, Carla Osthoff, Pedro G. Pascutti. jcc, 27(11):1142-1155, 2006. [doi]

2005

The BioPAUÁ Project: A Portal for Molecular Dynamics Using Grid EnvironmentAlan Wilter, Carla Osthoff, Cristiane Oliveira, Diego E. B. Gomes, Eduardo Hill, Laurent Emmanuel Dardenne, Patrícia M. Barros, Pedro A. A. G. L. Loureiro, Reynaldo Novaes, Pedro G. Pascutti. wob 2005: 214-217 [doi]

2003

A Grid Alternative Solution for Protein Folding Studies ApplicationsFlavia P. Agostini, Carla Osthoff, Pedro G. Pascutti, Alex Vassalo, Diogo Pinto. wob 2003: 145-148

Nonspecific interaction forces at water-membrane interface by forced molecular dynamics simulationsAlicia C. Lorenzo, Pedro G. Pascutti, Paulo Mascarello Bisch. jcc, 24(3):328-339, 2003. [doi]

HIV-I Protease Mutants Molecular Dynamics Research on Grid Computing EnvironmentCleverson Veronez, Carla Osthoff, Pedro G. Pascutti. wob 2003: 161-164

1999

Polarization effects on peptide conformations at water-membrane interface by molecular dynamics simulationPedro G. Pascutti, Kleber C. Mundim, Amando S. Ito, Paulo Mascarello Bisch. jcc, 20(9):971-982, 1999. [doi]

1998

Stochastic molecular optimization using generalized simulated annealingMarcelo A. Moret, Pedro G. Pascutti, Paulo Mascarello Bisch, Kleber C. Mundim. jcc, 19(6):647-657, 1998. [doi]

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