Gerd Bruno Rocha

Universidade Federal da Paraíba · PB · 10 publicações em 2022–2026

Advanced Chemical Physics StudiesLanthanide and Transition Metal ComplexesAdvanced Physical and Chemical Molecular InteractionsComputational Drug Discovery MethodsProtein Structure and Dynamics

Principais coautores no Nordeste tamanho = publicações em comum

Elton José Ferreira Chaves Gabriel A. Urquiza‐Carvalho Euzébio Guimarães Barbosa Igor Barden Grillo Jéssika de Oliveira Viana José Cícero Alves Silva José Gutembergue de Mendonça Karen C. Weber Ronaldo N. de Oliveira Acassio Rocha-Santos Alessandro Kappel Jordão Cláudio Gabriel Lima-Júnior

Publicações recentes

2026 2

The Role of the Electronic Structure during Protein Folding through Electron Density-Based Quantum Chemical Descriptors
Bioquímica, genética e biologia molecular · ACS Omega
The Potential of N ‐Benzyl Spiro‐Oxindole Hydantoins as Antileishmanial Agents Against Leishmania infantum
Medicina · Helvetica Chimica Acta

2025 1

In silico target identification and pharmacokinetic profiling of 2-aryl-quinoline-4-carboxylic acid derivatives as potential antileishmanial agents
Farmacologia e toxicologia · Frontiers in Pharmacology

2024 4

1,2,4-Oxadiazole Derivatives: Physicochemical Properties, Antileishmanial Potential, Docking and Molecular Dynamic Simulations of Leishmania infantum Target Proteins
Medicina · Molecules
Exploring the electronic structure of knotted proteins: the case of two ornithine transcarbamylase family
Bioquímica, genética e biologia molecular · Journal of Molecular Modeling
In Silico Structural Insights and Potential Inhibitor Identification Based on the Benzothiazole Core for Targeting Leishmania major Pteridine Reductase 1
Farmacologia e toxicologia · ACS Omega
Deep learning for discriminating non-trivial conformational changes in molecular dynamics simulations of SARS-CoV-2 spike-ACE2
Medicina · Scientific Reports

2023 1

Antiviral Activity of Flavonoids from Geopropolis of the Brazilian Jandaira Bee against Zika and Dengue Viruses
Medicina · Pharmaceutics

2022 2

Investigation of the structural dynamics of a knotted protein and its unknotted analog using molecular dynamics
Bioquímica, genética e biologia molecular · Journal of Molecular Modeling
E-Volve: understanding the impact of mutations in SARS-CoV-2 variants spike protein on antibodies and ACE2 affinity through patterns of chemical interactions at protein interfaces
Medicina · PeerJ

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