List of works - Paulo Ricardo Batista

Automated structure modeling of large protein assemblies using crosslinks as distance restraints

scientific article

Computational engineering of cellulase Cel9A-68 functional motions through mutations in its linker region.

scientific article published on 2 March 2018

Conformational Equilibrium of CDK/Cyclin Complexes by Molecular Dynamics with Excited Normal Modes

scientific article

Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis--application to the HIV-1 protease.

scientific article

Exploring free energy landscapes of large conformational changes: molecular dynamics with excited normal modes.

scientific article published on June 2015

Free Energy Profiles along Consensus Normal Modes Provide Insight into HIV-1 Protease Flap Opening

scientific article published on 07 July 2011

Gallic acid modulates phenotypic behavior and gene expression in oral squamous cell carcinoma cells by interfering with leptin pathway.

scientific article published on 10 December 2017

Gedunin Binds to Myeloid Differentiation Protein 2 and Impairs Lipopolysaccharide-Induced Toll-Like Receptor 4 Signaling in Macrophages

scientific article published in September 2015

Glycosylation effects on the structure and dynamics of a full-length Cel7A cellulase

scientific article published on 04 July 2019

High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics

scientific article published on 29 June 2011

How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics

scientific article

Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics

scientific article published on 27 October 2014

Interplay between parasite cysteine proteases and the host kinin system modulates microvascular leakage and macrophage infection by promastigotes of the Leishmania donovani complex

scientific article

Molecular Dynamics Simulations Applied to the Study of Subtypes of HIV-1 Protease Common to Brazil, Africa, and Asia

article

Molecular dynamics simulations of peptide inhibitors complexed with Trypanosoma cruzi trypanothione reductase.

scientific article published on 18 July 2012

New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes

scientific article published on November 2010

Predicting functional residues in Plasmodium falciparum plasmepsins by combining sequence and structural analysis with molecular dynamics simulations.

scientific article published in November 2008

List of works by Paulo Ricardo Batista

Automated structure modeling of large protein assemblies using crosslinks as distance restraints

Computational engineering of cellulase Cel9A-68 functional motions through mutations in its linker region.

Conformational Equilibrium of CDK/Cyclin Complexes by Molecular Dynamics with Excited Normal Modes

Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis--application to the HIV-1 protease.

Exploring free energy landscapes of large conformational changes: molecular dynamics with excited normal modes.

Free Energy Profiles along Consensus Normal Modes Provide Insight into HIV-1 Protease Flap Opening

Gallic acid modulates phenotypic behavior and gene expression in oral squamous cell carcinoma cells by interfering with leptin pathway.

Gedunin Binds to Myeloid Differentiation Protein 2 and Impairs Lipopolysaccharide-Induced Toll-Like Receptor 4 Signaling in Macrophages

Glycosylation effects on the structure and dynamics of a full-length Cel7A cellulase

High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics

How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics

Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics

Interplay between parasite cysteine proteases and the host kinin system modulates microvascular leakage and macrophage infection by promastigotes of the Leishmania donovani complex

Molecular Dynamics Simulations Applied to the Study of Subtypes of HIV-1 Protease Common to Brazil, Africa, and Asia

Molecular dynamics simulations of peptide inhibitors complexed with Trypanosoma cruzi trypanothione reductase.

New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes

Predicting functional residues in Plasmodium falciparum plasmepsins by combining sequence and structural analysis with molecular dynamics simulations.