| Exploring free energy landscapes of large conformational changes: molecular dynamics with excited normal modes MGS Costa, PR Batista, PM Bisch, D Perahia Journal of chemical theory and computation 11 (6), 2755-2767, 2015 | 61 | 2015 |
| Automated structure modeling of large protein assemblies using crosslinks as distance restraints M Ferber, J Kosinski, A Ori, UJ Rashid, M Moreno-Morcillo, B Simon, ... Nature methods 13 (6), 515-520, 2016 | 58 | 2016 |
| Molecular dynamics simulations applied to the study of subtypes of HIV-1 protease common to Brazil, Africa, and Asia PR Batista, A Wilter, EHAB Durham, PG Pascutti Cell biochemistry and biophysics 44, 395-404, 2006 | 53 | 2006 |
| High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics PR Batista, MG de Souza Costa, PG Pascutti, PM Bisch, W de Souza Physical Chemistry Chemical Physics 13 (30), 13709-13720, 2011 | 45 | 2011 |
| Free energy profiles along consensus normal modes provide insight into HIV-1 protease flap opening PR Batista, G Pandey, PG Pascutti, PM Bisch, D Perahia, CH Robert Journal of chemical theory and computation 7 (8), 2348-2352, 2011 | 40 | 2011 |
| Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis—application to the HIV-1 protease PR Batista, CH Robert, JD Marechal, MB Hamida-Rebaï, PG Pascutti, ... Physical Chemistry Chemical Physics 12 (12), 2850-2859, 2010 | 40 | 2010 |
| How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics MGS Costa, PR Batista, CS Shida, CH Robert, PM Bisch, PG Pascutti BMC genomics 11 (5), S5, 2010 | 35 | 2010 |
| Interplay between parasite cysteine proteases and the host kinin system modulates microvascular leakage and macrophage infection by promastigotes of the Leishmania donovani complex E Svensjö, PR Batista, CI Brodskyn, R Silva, APCA Lima, V Schmitz, ... Microbes and infection 8 (1), 206-220, 2006 | 34 | 2006 |
| Conformational Equilibrium of CDK/Cyclin Complexes by Molecular Dynamics with Excited Normal Modes N Floquet, MGS Costa, PR Batista, P Renault, PM Bisch, F Raussin, ... Biophysical journal 109 (6), 1179-1189, 2015 | 31 | 2015 |
| Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulations RO Soares, PR Batista, MGS Costa, LE Dardenne, PG Pascutti, ... Journal of Molecular Graphics and Modelling 29 (2), 137-147, 2010 | 31 | 2010 |
| Design, docking studies and molecular dynamics of new potential selective inhibitors of Plasmodium falciparum serine hydroxymethyltransferase ML da Silva, A da Silva Gonçalves, P Ricardo Batista, JD Figueroa-Villar, ... Molecular Simulation 36 (1), 5-14, 2010 | 24 | 2010 |
| Predicting functional residues in Plasmodium falciparum plasmepsins by combining sequence and structural analysis with molecular dynamics simulations PA Valiente, PR Batista, A Pupo, T Pons, A Valencia, PG Pascutti Proteins: Structure, Function, and Bioinformatics 73 (2), 440-457, 2008 | 24 | 2008 |
| Exploring the unbinding of Leishmania (L.) amazonensis CPB derived‐epitopes from H2 MHC class I proteins AML Brandt, PR Batista, F Souza‐Silva, CR Alves, ER Caffarena Proteins: Structure, Function, and Bioinformatics 84 (4), 473-487, 2016 | 22 | 2016 |
| New parameterization approaches of the LIE method to improve free energy calculations of PlmII‐Inhibitors complexes PA Valiente, A Gil L, PR Batista, ER Caffarena, T Pons, PG Pascutti Journal of computational chemistry 31 (15), 2723-2734, 2010 | 20 | 2010 |
| Gedunin binds to myeloid differentiation protein 2 and impairs lipopolysaccharide-induced toll-like receptor 4 signaling in macrophages PV Borges, KH Moret, CM Maya-Monteiro, F Souza-Silva, CR Alves, ... Molecular pharmacology 88 (5), 949-961, 2015 | 17 | 2015 |
| Gallic acid modulates phenotypic behavior and gene expression in oral squamous cell carcinoma cells by interfering with leptin pathway EMS Santos, RG da Rocha, HO Santos, TA Guimarães, ... Pathology-Research and Practice 214 (1), 30-37, 2018 | 15 | 2018 |
| Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics MGS Costa, TG Benetti-Barbosa, N Desdouits, A Blondel, PM Bisch, ... BMC genomics 15 (7), S5, 2014 | 15 | 2014 |
| Molecular dynamics simulations of peptide inhibitors complexed with Trypanosoma cruzi Trypanothione reductase SS Da Rocha Pita, PR Batista, MG Albuquerque, PG Pascutti Chemical biology & drug design 80 (4), 561-571, 2012 | 14 | 2012 |
| Computational engineering of cellulase Cel9A-68 functional motions through mutations in its linker region MGS Costa, YF Silva, PR Batista Physical Chemistry Chemical Physics 20 (11), 7643-7652, 2018 | 11 | 2018 |
| Glycosylation effects on the structure and dynamics of a full-length Cel7A cellulase CE Pena Jr, MGS Costa, PR Batista Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1868 (1), 140248, 2020 | 8 | 2020 |
Paulo M. BischUFRJDirección de correo verificada de biof.ufrj.br
