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Docking Ligands into Flexible and Solvated Macromolecules, 7. Impact of Protein Flexibility and Water Molecules on Docking-Based Virtual Screening Accuracy.

Eric TherrienNathanael WeillAnna TombergChristopher R. CorbeilDevin LeeNicolas Moitessier
Published in: J. Chem. Inf. Model. (2014)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • binding sites
  • scoring function
  • high throughput
  • similarity search
  • metric space
  • multi dimensional
  • data collection
  • high precision