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Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores.

Caterina BarillariGilles MarcouDidier Rognan
Published in: J. Chem. Inf. Model. (2008)
Keyphrases
  • molecular structures
  • hot spots
  • knowledge discovery
  • databases
  • logic programs
  • drug discovery