Navigating Chemical Space by Interfacing Generative Artificial Intelligence and Molecular Docking.

Xu, Ziqiao; Wauchope, Orrette R; Frank, Aaron T

Xu, Ziqiao; Wauchope, Orrette R; Frank, Aaron T.

Afiliação

Xu Z; Chemistry Department, University of Michigan, 930 North University Avenue, Ann Arbor, Michigan 48109, United States.
Wauchope OR; Department of Natural Sciences, City University of New York, Baruch College, New York, New York 10010, United States.
Frank AT; Biophysics Program, University of Michigan, 930 North University Avenue, Ann Arbor, Michigan 48109, United States.

J Chem Inf Model ; 61(11): 5589-5600, 2021 11 22.

Article em En | MEDLINE | ID: mdl-34633194

Assuntos

Inteligência Artificial; COVID-19; Antivirais; Humanos; Simulação de Acoplamento Molecular; Inibidores de Proteases; SARS-CoV-2

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Inteligência Artificial / COVID-19 Limite: Humans Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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