CSD-Discovery provides valuable insights from high quality experimental crystal structure data in the CSD for computational and medicinal chemists. Capabilities of CSD-Discovery include everything in CSD-System as well as:


  • Ligand based drug design with conformer generation and ligand overlay
  • Structure based drug design including SuperStar intermolecular interaction maps and CSD Full Interaction Maps (FIMS)
  • Protein-ligand docking using GOLD
  • API functions including conformer generation

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