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Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease.

Simon BrayTim DudgeonRachael SkynerRolf BackofenBjörn A. GrüningFrank von Delft
Published in: J. Cheminformatics (2022)
Keyphrases
  • virtual screening
  • chemical structures
  • database
  • data processing
  • drug discovery