Alan Wilter

The ACPYPE web server for small-molecule MD topology generation

Luciano Porto Kagami, Alan Wilter, Adrián Díaz et al. · Bioinformatics · 2023 · 201 citations · Full text

Natural Sciences, Bioinformatics, Biophysics +14

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

Paulo Ricardo Batista, Alan Wilter, Elza Helena Andrade Barbosa Durham et al. · Cell Biochemistry and Biophysics · 2006 · 52 citations

Life Sciences, Biology, Molecular Biology +14

Molecular dynamics of the interaction of pralidoxime and deazapralidoxime with acetylcholinesterase inhibited by the neurotoxic agent tabun

Arlan da Silva Gonçalves, Tanos C. C. França, Alan Wilter et al. · Journal of the Brazilian Chemical Society · 2006 · 34 citations · Full text

Life Sciences, Medicinal Chemistry, Pharmacology +16

Molecular dynamics of the interaction of Plasmodium falciparum and human serine hydroxymethyltransferase with 5-formyl-6-hydrofolic acid analogues: design of new potential antimalarials

Tanos C. C. França, Alan Wilter, Teodorico C. Ramalho et al. · Journal of the Brazilian Chemical Society · 2006 · 24 citations · Full text

Life Sciences, Biochemistry, Pharmacology +17

First principles calculations of thermodynamics and kinetic parameters and molecular dynamics simulations of acetylcholinesterase reactivators: can mouse data provide new insights into humans?

Karina Matos, Elaine F. F. da Cunha, Arlan da Silva Gonçalves et al. · Journal of Biomolecular Structure and Dynamics · 2012 · 19 citations

Natural Sciences, Biochemistry, Biomolecular Modeling +16