Pedro Geraldo Pascutti

14 papers Journal 10Unranked 4

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Virtual screening of compounds for the development of thyroid hormone analogues for potential application in cardiac regeneration. J. Comput. Aided Mol. Des. José de Anchieta de Oliveira Filho, Elton José Ferreira Chaves, Pedro Geraldo Pascutti, Enéas Ricardo de Morais Gomes
2021	J	`jnl`	In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2. J. Comput. Aided Mol. Des. Jorge Enrique Hernández González, Emir Salas-Sarduy, Lilian Hernández Alvarez, Diego Enry Barreto Gomes, Pedro Geraldo Pascutti, Chris Oostenbrink, Vitor B. P. Leite
2020	J	`jnl`	Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesterase. Comput. Biol. Chem. 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
2020	J	`jnl`	Water Bridges Play a Key Role in Affinity and Selectivity for Malarial Protease Falcipain-2. J. Chem. Inf. Model. Jorge Enrique Hernández González, Lilian Hernández Alvarez, Vitor B. P. Leite, Pedro Geraldo Pascutti
2018	J	`jnl`	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. Luan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira, Pedro Geraldo Pascutti, Elio A. Cino, Rafaela Salgado Ferreira
2010	J	`jnl`	New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes. J. Comput. Chem. Pedro A. Valiente, Alejandro Gil L., Paulo R. Batista, Ernesto Raúl Caffarena, Tirso Pons, Pedro Geraldo Pascutti
2008	—	`conf`	Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase. BSB Diego Enry Barreto Gomes, Roberto D. Lins, Pedro Geraldo Pascutti, Tjerk P. Straatsma, Thereza A. Soares
2006	J	`jnl`	Generalized simulated annealing applied to protein folding studies. J. Comput. Chem. Flavia P. Agostini, Diogo De O. Soares-Pinto, Marcelo A. Moret, Carla Osthoff, Pedro Geraldo Pascutti
2005	—	`conf`	The BioPAUÁ Project: A Portal for Molecular Dynamics Using Grid Environment. BSB Alan Wilter, Carla Osthoff, Cristiane Oliveira, Diego Enry Barreto Gomes, Eduardo Hill, Laurent Emmanuel Dardenne, Patrícia M. Barros, Pedro A. A. G. L. Loureiro, Reynaldo Novaes, Pedro Geraldo Pascutti
2003	—	`conf`	A Grid Alternative Solution for Protein Folding Studies Applications. WOB Flavia P. Agostini, Carla Osthoff, Pedro Geraldo Pascutti, Alex Vassalo, Diogo Pinto
2003	—	`conf`	HIV-I Protease Mutants Molecular Dynamics Research on Grid Computing Environment. WOB Cleverson Veronez, Carla Osthoff, Pedro Geraldo Pascutti
2003	J	`jnl`	Nonspecific interaction forces at water-membrane interface by forced molecular dynamics simulations. J. Comput. Chem. Alicia C. Lorenzo, Pedro Geraldo Pascutti, Paulo Mascarello Bisch
1999	J	`jnl`	Polarization effects on peptide conformations at water-membrane interface by molecular dynamics simulation. J. Comput. Chem. Pedro Geraldo Pascutti, Kleber C. Mundim, Amando S. Ito, Paulo Mascarello Bisch
1998	J	`jnl`	Stochastic molecular optimization using generalized simulated annealing. J. Comput. Chem. Marcelo A. Moret, Pedro Geraldo Pascutti, Paulo Mascarello Bisch, Kleber C. Mundim