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All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening.

Viet-Khoa Tran-NguyenFranck Da SilvaGuillaume BretDidier Rognan
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • drug discovery
  • virtual screening
  • binding sites
  • chemical structures
  • similarity searching
  • database
  • databases
  • bayesian networks
  • nearest neighbor
  • multi dimensional