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WIDOCK: a reactive docking protocol for virtual screening of covalent inhibitors.

Andrea ScarpinoLászló PetriDamijan KnezTímea ImrePéter Ábrányi-BaloghGyörgy G. FerenczyStanislav GobecGyörgy M. Keserü
Published in: J. Comput. Aided Mol. Des. (2021)
Keyphrases
  • virtual screening
  • chemical structures
  • drug discovery
  • similarity searching
  • high throughput
  • hiv protease
  • databases
  • similarity search
  • binding sites
  • database
  • query processing
  • scoring function