Pedro Geraldo Pascutti
Orcid: 0000-0002-5454-560X
According to our database1,
Pedro Geraldo Pascutti
authored at least 13 papers
between 1998 and 2021.
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Bibliography
2021
In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2.
J. Comput. Aided Mol. Des., 2021
2020
Water Bridges Play a Key Role in Affinity and Selectivity for Malarial Protease Falcipain-2.
J. Chem. Inf. Model., 2020
Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesterase.
Comput. Biol. Chem., 2020
2018
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., 2018
2010
New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes.
J. Comput. Chem., 2010
2008
Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase.
Proceedings of the Advances in Bioinformatics and Computational Biology, 2008
2006
J. Comput. Chem., 2006
2005
Proceedings of the Advances in Bioinformatics and Computational Biology, 2005
2003
Nonspecific interaction forces at water-membrane interface by forced molecular dynamics simulations.
J. Comput. Chem., 2003
HIV-I Protease Mutants Molecular Dynamics Research on Grid Computing Environment.
Proceedings of the II Brazilian Workshop on Bioinformatics, 2003
A Grid Alternative Solution for Protein Folding Studies Applications.
Proceedings of the II Brazilian Workshop on Bioinformatics, 2003
1999
Polarization effects on peptide conformations at water-membrane interface by molecular dynamics simulation.
J. Comput. Chem., 1999
1998
J. Comput. Chem., 1998