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Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy.

Jason B. CrossDavid C. ThompsonBrajesh K. RaiJ. Christian BaberKristi Yi FanYongbo HuChristine Humblet
Published in: J. Chem. Inf. Model. (2009)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • binding sites
  • scoring function
  • hiv protease
  • optimal assignment
  • databases
  • high throughput
  • multimedia
  • high precision