Virtual screening is an established computational approach that employs knowledge to select potentially bioactive compounds for screening. Both structure-based and ligand-based virtual screening is typically applied to large virtual chemical collections to shortlist compounds that have a better chance of being active. It provides a rational framework to identify hits for experimental screening within less time and at reduced cost.

Learn how a virtual screening campaign is designed to harness knowledge on a target and how to successfully apply it to your drug discovery programs.


  • Siew Kuen Yeap, Phd, Research Fellow, Computer-Aided Drug Design, Charles River