Gerd Bruno Rocha
15PUBLICATIONS
26CO-AUTHORS
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Publications (15)
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|Feb 02, 2026
The Role of the Electronic Structure during Protein Folding through Electron Density-Based Quantum Chemical Descriptors.Acassio Rocha-Santos, Igor Barden Grillo, Gabriel Aires Urquiza-Carvalho
|Oct 16, 2024
1,2,4-Oxadiazole Derivatives: Physicochemical Properties, Antileishmanial Potential, Docking and Molecular Dynamic Simulations of Leishmania infantum Target Proteins.Deyzi C S Barbosa, Vanderlan N Holanda, Elton M A Lima
|Oct 28, 2023
Antiviral Activity of Flavonoids from Geopropolis of the Brazilian Jandaira Bee against Zika and Dengue Viruses.Poliana Gomes da Silva, Elton José Ferreira Chaves, Tania Maria Sarmento Silva
|May 24, 2023
Quantum chemical descriptors based on semiempirical methods for large biomolecules.Igor B Grillo, Gabriel A Urquiza-Carvalho, Gerd B Rocha
|Mar 31, 2022
Investigation of the structural dynamics of a knotted protein and its unknotted analog using molecular dynamics.José Cícero Alves Silva, Elton José Ferreira Chaves, Gabriel Aires Urquiza de Carvalho
|May 10, 2021
A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers.Rafael E O Rocha, Elton J F Chaves, Pedro H C Fischer
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Frequent Collaborators
4 joint publications
Elton José Ferreira Chaves
2 joint publications
Carlos Henrique Silveira
2 joint publications
Ronaldo Nascimento de Oliveira
1 joint publications
Marcelo C R Melo
1 joint publications
Rafael C Bernardi
1 joint publications
Till Rudack
1 joint publications
Maximilian Scheurer
1 joint publications
James C Phillips
1 joint publications
Julio D C Maia
1 joint publications
Zaida Luthey-Schulten
