Structural insights into Nirmatrelvir (PF-07321332)-3C-like SARS-CoV-2 protease complexation: a ligand Gaussian accelerated molecular dynamics study.

Wang, Yeng-Tseng; Liao, Jun-Min; Lin, Wen-Wei; Li, Chia-Ching; Huang, Bo-Cheng; Cheng, Tian-Lu; Chen, Tun-Chieh

Wang, Yeng-Tseng; Liao, Jun-Min; Lin, Wen-Wei; Li, Chia-Ching; Huang, Bo-Cheng; Cheng, Tian-Lu; Chen, Tun-Chieh.

Affiliation

Wang YT; School of Post-Baccalaureate Medicine, College of Medicine, Kaohsiung Medical University, Taiwan. c00jsw00@kmu.edu.tw.
Liao JM; Drug Development and Value Creation Research Center, Kaohsiung Medical University, Kaohsiung, 80708, Taiwan.
Lin WW; Graduate Institute of Medicine, Kaohsiung Medical University, Kaohsiung, 80708, Taiwan.
Li CC; Drug Development and Value Creation Research Center, Kaohsiung Medical University, Kaohsiung, 80708, Taiwan.
Huang BC; Graduate Institute of Medicine, Kaohsiung Medical University, Kaohsiung, 80708, Taiwan.
Cheng TL; Department of Biomedical Science and Environmental Biology, Kaohsiung Medical University, Kaohsiung, Taiwan.
Chen TC; School of Post-Baccalaureate Medicine, College of Medicine, Kaohsiung Medical University, Taiwan. c00jsw00@kmu.edu.tw.

Phys Chem Chem Phys ; 24(37): 22898-22904, 2022 Sep 28.

Article in En | MEDLINE | ID: mdl-36124909

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Antiviral Agents / Coronavirus 3C Proteases / SARS-CoV-2 Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2022 Document type: Article Affiliation country: Taiwán

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