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The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.

David G. LloydAlfonso T. García-SosaIan L. AlbertsNikolay P. TodorovRicardo L. Mancera
Published in: J. Comput. Aided Mol. Des. (2004)
Keyphrases
  • drug discovery
  • statistical models
  • multi agent
  • experimental data
  • structural information
  • structural models
  • virtual screening
  • high level
  • pairwise
  • complex systems
  • computational models