An Interpretable Convolutional Neural Network Framework for Analyzing Molecular Dynamics Trajectories: a Case Study on Functional States for G-Protein-Coupled Receptors.

Li, Chuan; Liu, Jiangting; Chen, Jianfang; Yuan, Yuan; Yu, Jin; Gou, Qiaolin; Guo, Yanzhi; Pu, Xuemei

Li, Chuan; Liu, Jiangting; Chen, Jianfang; Yuan, Yuan; Yu, Jin; Gou, Qiaolin; Guo, Yanzhi; Pu, Xuemei.

Afiliação

Li C; College of Computer Science, Sichuan University, Chengdu 610064, China.
Liu J; College of Computer Science, Sichuan University, Chengdu 610064, China.
Chen J; College of Chemistry, Sichuan University, Chengdu 610064, China.
Yuan Y; College of Management, Southwest University for Nationalities, Chengdu 610041, China.
Yu J; Department of Physics and Astronomy, University of California, Irvine, California 92697, United States.
Gou Q; College of Chemistry, Sichuan University, Chengdu 610064, China.
Guo Y; College of Chemistry, Sichuan University, Chengdu 610064, China.
Pu X; College of Chemistry, Sichuan University, Chengdu 610064, China.

J Chem Inf Model ; 62(6): 1399-1410, 2022 03 28.

Article em En | MEDLINE | ID: mdl-35257580

Assuntos

Simulação de Dinâmica Molecular; Redes Neurais de Computação; Receptores Acoplados a Proteínas G/química; Software

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Redes Neurais de Computação / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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