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Pedro Geraldo Pascutti
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2020 – today
- 2021
- [j9]Jorge Enrique Hernández González
, Emir Salas-Sarduy
In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2. J. Comput. Aided Mol. Des. 35(10): 1067-1079 (2021) - 2020
- [j8]Luana G. de Souza
Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesterase. Comput. Biol. Chem. 87: 107293 (2020) - [j7]Jorge Enrique Hernández González
Water Bridges Play a Key Role in Affinity and Selectivity for Malarial Protease Falcipain-2. J. Chem. Inf. Model. 60(11): 5499-5512 (2020)
2010 – 2019
- 2018
- [j6]Luan Carvalho Martins
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): 591-605 (2018) - 2010
- [j5]Pedro A. Valiente, Alejandro Gil L.
New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes. J. Comput. Chem. 31(15): 2723-2734 (2010)
2000 – 2009
- 2008
- [c4]Diego Enry Barreto Gomes
Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase. BSB 2008: 68-78 - 2006
- [j4]Flavia P. Agostini, Diogo De O. Soares-Pinto
Generalized simulated annealing applied to protein folding studies. J. Comput. Chem. 27(11): 1142-1155 (2006) - 2005
- [c3]Alan Wilter, Carla Osthoff, Cristiane Oliveira, Diego Enry Barreto Gomes
The BioPAUÁ Project: A Portal for Molecular Dynamics Using Grid Environment. BSB 2005: 214-217 - 2003
- [j3]Alicia C. Lorenzo, Pedro Geraldo Pascutti
Nonspecific interaction forces at water-membrane interface by forced molecular dynamics simulations. J. Comput. Chem. 24(3): 328-339 (2003) - [c2]Flavia P. Agostini, Carla Osthoff, Pedro Geraldo Pascutti, Alex Vassalo, Diogo Pinto:
A Grid Alternative Solution for Protein Folding Studies Applications. WOB 2003: 145-148 - [c1]Cleverson Veronez, Carla Osthoff, Pedro Geraldo Pascutti:
HIV-I Protease Mutants Molecular Dynamics Research on Grid Computing Environment. WOB 2003: 161-164
1990 – 1999
- 1999
- [j2]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): 971-982 (1999) - 1998
- [j1]Marcelo A. Moret, Pedro Geraldo Pascutti, Paulo Mascarello Bisch, Kleber C. Mundim:
Stochastic molecular optimization using generalized simulated annealing. J. Comput. Chem. 19(6): 647-657 (1998)
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