Ensemble Molecular Dynamics of a Protein-Ligand Complex: Residual Inhibitor Entropy Enhances Drug Potency in Butyrylcholinesterase.

Sorin, Eric J; Alvarado, Walter; Cao, Samantha; Radcliffe, Amethyst; La, Phuc; An, Yi

Sorin, Eric J; Alvarado, Walter; Cao, Samantha; Radcliffe, Amethyst; La, Phuc; An, Yi.

Afiliação

Sorin EJ; Department of Chemistry and Biochemistry, California State University Long Beach, California, USA.
Alvarado W; Department of Physics and Astronomy, California State University Long Beach, California, USA.
Cao S; Department of Chemistry and Biochemistry, California State University Long Beach, California, USA.
Radcliffe A; Department of Physics and Astronomy, California State University Long Beach, California, USA.
La P; Department of Chemistry and Biochemistry, California State University Long Beach, California, USA.
An Y; Department of Chemistry and Biochemistry, California State University Long Beach, California, USA.

Bioenergetics ; 6(1)2017.

Article em En | MEDLINE | ID: mdl-28944107

Palavras-chave

BChE; Distributed computing; Docking; Molecular simulation; Phenyl phosphate

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Bioenergetics Ano de publicação: 2017 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos

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