Pedro Geraldo Pascutti

Publication Activity (10 Years)

Years Active: 1998-2021
Publications (10 Years): 4

Top Topics

Quantitative Structure Activity

Molecular Dynamics

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Comput. Biol. Chem.

Publications

Jorge Enrique Hernández González, Emir Salas-Sarduy, Lilian Hernández Alvarez, Diego Enry Barreto Gomes, Pedro Geraldo Pascutti, Chris Oostenbrink, Vitor B. P. Leite
In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2. J. Comput. Aided Mol. Des. 35 (10) (2021)
Luana G. de Souza, Paula F. Moraes, Raquel A. C. Leão, Paulo R. R. Costa, Rosemberg O. Soares, Pedro Geraldo Pascutti, Jose D. Figueroa-Villar, Magdalena N. Rennó
Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesterase. Comput. Biol. Chem. 87 (2020)
Jorge Enrique Hernández González, Lilian Hernández Alvarez, Vitor B. P. Leite, Pedro Geraldo Pascutti
Water Bridges Play a Key Role in Affinity and Selectivity for Malarial Protease Falcipain-2. J. Chem. Inf. Model. 60 (11) (2020)
Luan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira, Pedro Geraldo Pascutti, Elio A. Cino, Rafaela Salgado Ferreira
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations. J. Comput. Aided Mol. Des. 32 (5) (2018)
Pedro A. Valiente, Alejandro Gil L., Paulo R. Batista, Ernesto Raúl Caffarena, Tirso Pons, Pedro Geraldo Pascutti
New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes. J. Comput. Chem. 31 (15) (2010)
Diego E. B. Gomes, Roberto D. Lins, Pedro Geraldo Pascutti, Tjerk P. Straatsma, Thereza A. Soares
Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase. BSB (2008)
Flavia P. Agostini, Diogo De O. Soares-Pinto, Marcelo A. Moret, Carla Osthoff, Pedro Geraldo Pascutti
Generalized simulated annealing applied to protein folding studies. J. Comput. Chem. 27 (11) (2006)
Alan 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 Geraldo Pascutti
The BioPAUÁ Project: A Portal for Molecular Dynamics Using Grid Environment. BSB (2005)
Flavia P. Agostini, Carla Osthoff, Pedro Geraldo Pascutti, Alex Vassalo, Diogo Pinto
A Grid Alternative Solution for Protein Folding Studies Applications. WOB (2003)
Cleverson Veronez, Carla Osthoff, Pedro Geraldo Pascutti
HIV-I Protease Mutants Molecular Dynamics Research on Grid Computing Environment. WOB (2003)
Alicia C. Lorenzo, Pedro Geraldo Pascutti, Paulo Mascarello Bisch
Nonspecific interaction forces at water-membrane interface by forced molecular dynamics simulations. J. Comput. Chem. 24 (3) (2003)
Pedro Geraldo Pascutti, Kleber C. Mundim, Amando S. Ito, Paulo Mascarello Bisch
Polarization effects on peptide conformations at water-membrane interface by molecular dynamics simulation. J. Comput. Chem. 20 (9) (1999)
Marcelo A. Moret, Pedro Geraldo Pascutti, Paulo Mascarello Bisch, Kleber C. Mundim
Stochastic molecular optimization using generalized simulated annealing. J. Comput. Chem. 19 (6) (1998)