Computer-Aided Drug Design

Collaborating with Charles River’s Computer-Aided Drug Design (CADD) group puts leading informatics, virtual screening and molecular modeling expertise at your fingertips. Our highly experienced team works closely with our colleagues in medicinal chemistry, screening and structural biology to support projects and also plays a leading role in the design of our fragment and SoftFocus® libraries. Our CADD capabilities are available as part of integrated hit identification, hit expansion, hit-to-lead and lead optimization programs or as a stand-alone offering.

  • Structure-based drug design
  • Ligand-based drug design
  • Virtual screening
  • Protein modeling
  • QSAR modeling
  • Screening library design and subset selection
  • Design of fragment and SoftFocus® libraries
  • HTS data triage
  • Chemo- and bio-informatics
  • Industry-standard software and hardware
  • Proprietary design concepts and tools
  • Highly experienced scientists
  • Strong track record of success
  • Tight integration with allied disciplines

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