Entropy driven cooperativity effect in multi-site drug optimization targeting SARS-CoV-2 papain-like protease.

Duan, Lili; Tang, Bolin; Luo, Song; Xiong, Danyang; Wang, Qihang; Xu, Xiaole; Zhang, John Z H

Duan, Lili; Tang, Bolin; Luo, Song; Xiong, Danyang; Wang, Qihang; Xu, Xiaole; Zhang, John Z H.

Afiliación

Duan L; School of Physics and Electronics, Shandong Normal University, Jinan, 250014, China. duanll@sdnu.edu.cn.
Tang B; School of Physics and Electronics, Shandong Normal University, Jinan, 250014, China.
Luo S; School of Physics and Electronics, Shandong Normal University, Jinan, 250014, China.
Xiong D; School of Physics and Electronics, Shandong Normal University, Jinan, 250014, China.
Wang Q; School of Physics and Electronics, Shandong Normal University, Jinan, 250014, China.
Xu X; School of Physics and Electronics, Shandong Normal University, Jinan, 250014, China.
Zhang JZH; Faculty of Synthetic Biology and Shenzhen Institute of Synthetic Biology, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen, 518055, China. john.zhang@nyu.edu.

Cell Mol Life Sci ; 80(11): 313, 2023 Oct 05.

Article en En | MEDLINE | ID: mdl-37796323

Asunto(s)

COVID-19; SARS-CoV-2; Humanos; Entropía; Simulación de Dinámica Molecular

Palabras clave

Binding free energy; Cooperativity; Entropy contribution; Papain-like protease; Regional improvement of inhibitor

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: SARS-CoV-2 / COVID-19 Límite: Humans Idioma: En Revista: Cell Mol Life Sci Asunto de la revista: BIOLOGIA MOLECULAR Año: 2023 Tipo del documento: Article País de afiliación: China

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