Effects of pH and salt concentration on stability of a protein G variant using coarse-grained models VM de Oliveira, V de Godoi Contessoto, FB da Silva, DLZ Caetano, ... Biophysical Journal 114 (1), 65-75, 2018 | 40 | 2018 |
Role of ion hydration for the differential capacitance of an electric double layer DLZ Caetano, GV Bossa, VM de Oliveira, MA Brown, SJ de Carvalho, ... Physical Chemistry Chemical Physics 18 (40), 27796-27807, 2016 | 33 | 2016 |
NTL9 folding at constant pH: the importance of electrostatic interaction and pH dependence VG Contessoto, VM De Oliveira, SJ De Carvalho, LC Oliveira, VBP Leite Journal of Chemical Theory and Computation 12 (7), 3270-3277, 2016 | 31 | 2016 |
GPU-accelerated all-atom particle-mesh Ewald continuous constant pH molecular dynamics in Amber JA Harris, R Liu, V Martins de Oliveira, EA Vázquez-Montelongo, ... Journal of chemical theory and computation 18 (12), 7510-7527, 2022 | 30 | 2022 |
TKSA‐MC: A web server for rational mutation through the optimization of protein charge interactions VG Contessoto, VM de Oliveira, BR Fernandes, GG Slade, VBP Leite Proteins: Structure, Function, and Bioinformatics 86 (11), 1184-1188, 2018 | 29 | 2018 |
Differential capacitance of an electric double layer with asymmetric solvent-mediated interactions: mean-field theory and Monte Carlo simulations DLZ Caetano, GV Bossa, VM De Oliveira, MA Brown, SJ De Carvalho, ... Physical Chemistry Chemical Physics 19 (35), 23971-23981, 2017 | 25 | 2017 |
Constant ph molecular dynamics simulations: Current status and recent applications VM de Oliveira, R Liu, J Shen Current opinion in structural biology 77, 102498, 2022 | 23 | 2022 |
Adsorption of pH-responsive polyelectrolyte chains onto spherical macroions VM de Oliveira, SJ de Carvalho The European Physical Journal E 37, 1-7, 2014 | 21 | 2014 |
Non-native cooperative interactions modulate protein folding rates F Bruno da Silva, VG Contessoto, VM De Oliveira, J Clarke, VBP Leite The Journal of Physical Chemistry B 122 (48), 10817-10824, 2018 | 19* | 2018 |
Cold shock protein A from Corynebacterium pseudotuberculosis: role of electrostatic forces in the stability of the secondary structure M A Coronado, I P Caruso, V M de Oliveira, V G Contessoto, V BP Leite, ... Protein and Peptide Letters 24 (4), 358-367, 2017 | 19 | 2017 |
Integrative approach to dissect the drug resistance mechanism of the H172Y mutation of SARS-CoV-2 main protease J Clayton, VM de Oliveira, MF Ibrahim, X Sun, P Mahinthichaichan, ... Journal of Chemical Information and Modeling 63 (11), 3521-3533, 2023 | 17* | 2023 |
A guide to the continuous constant pH molecular dynamics methods in Amber and CHARMM [Article v1. 0] JA Henderson, R Liu, JA Harris, Y Huang, VM de Oliveira, J Shen Living journal of computational molecular science 4 (1), 2022 | 11 | 2022 |
Rational design of chymotrypsin inhibitor 2 by optimizing non-native interactions F B. da Silva, V M. de Oliveira, MN Sanches, VG Contessoto, VBP Leite Journal of chemical information and modeling 60 (2), 982-988, 2019 | 10 | 2019 |
pH and the breast cancer recurrent mutation D538G affect the process of activation of estrogen receptor α VM De Oliveira, MMG Dias, TM Avelino, NB Videira, FB Da Silva, ... Biochemistry 61 (6), 455-463, 2022 | 7 | 2022 |
pH and charged mutations modulate cold shock protein folding and stability: A constant pH monte carlo study VM De Oliveira, DLZ Caetano, FB Da Silva, PR Mouro, AB de Oliveira Jr, ... Journal of Chemical Theory and Computation 16 (1), 765-772, 2019 | 7 | 2019 |
Electrostatic interaction optimization improves catalytic rates and thermotolerance on xylanases V de Godoi Contessoto, FC Ramos, RR de Melo, VM de Oliveira, ... Biophysical Journal 120 (11), 2172-2180, 2021 | 6 | 2021 |
PPAR modulation through posttranslational modification control NB Videira, MMG Dias, MF Terra, VM de Oliveira, M García-Arévalo, ... Nuclear Receptors: The Art and Science of Modulator Design and Discovery …, 2021 | 5 | 2021 |
Probing the Energy Landscape of Spectrin R15 and R16 and the Effects of Non-native Interactions FB da Silva, V Martins de Oliveira, AB de Oliveira Junior, VG Contessoto, ... The Journal of Physical Chemistry B 127 (6), 1291-1300, 2023 | 4 | 2023 |
Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study of the free enzyme and its … M Ibrahim, X Sun, VM de Oliveira, R Liu, J Clayton, H El Kilani, J Shen, ... hLife, 2024 | | 2024 |
Coarse-Grained Simulations of Protein Folding: Bridging Theory and Experiments VG Contessoto, VM de Oliveira, VBP Leite Protein Folding: Methods and Protocols, 303-315, 2022 | | 2022 |