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Lead Discovery of SARS-CoV-2 Main Protease Inhibitors through Covalent Docking-Based Virtual Screening.

Giorgio AmendolaRoberta EttariSanto PrevitiCarla Di ChioAnna MessereSalvatore Di MaroStefan J. HammerschmidtCollin ZimmerRobert A. ZimmermannTanja SchirmeisterMaria ZappalàSandro Cosconati
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • hiv protease
  • virtual screening
  • human immunodeficiency virus
  • chemical structures
  • data mining
  • coarse grained
  • binding sites
  • drug discovery