Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV‑2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations

oleh: Chun-Hui Zhang, Elizabeth A. Stone, Maya Deshmukh, Joseph A. Ippolito, Mohammad M. Ghahremanpour, Julian Tirado-Rives, Krasimir A. Spasov, Shuo Zhang, Yuka Takeo, Shalley N. Kudalkar, Zhuobin Liang, Farren Isaacs, Brett Lindenbach, Scott J. Miller, Karen S. Anderson, William L. Jorgensen

Format: Article
Diterbitkan: American Chemical Society 2021-02-01

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