Using High-Throughput Molecular Dynamics Simulation to Enhance the Computational Design of Kemp Elimination Enzymes.

Wang, Pengyu; Zhang, Jun; Zhang, Shengyu; Lu, Diannan; Zhu, Yushan

Wang, Pengyu; Zhang, Jun; Zhang, Shengyu; Lu, Diannan; Zhu, Yushan.

Afiliação

Wang P; College of Life Science and Technology, Beijing University of Chemical Technology, Beijing 100029, China.
Zhang J; Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
Zhang S; Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
Lu D; College of Life Science and Technology, Beijing University of Chemical Technology, Beijing 100029, China.
Zhu Y; Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.

J Chem Inf Model ; 63(4): 1323-1337, 2023 02 27.

Article em En | MEDLINE | ID: mdl-36782360

Assuntos

Enzimas; Simulação de Dinâmica Molecular; Biocatálise; Catálise; Enzimas/metabolismo; Engenharia de Proteínas

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Enzimas / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2023 Tipo de documento: Article País de afiliação: China

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