In drug discovery, virtual screening (VS) is a widely used computational technique for identifying hits, optimizing leads, and performing scaffold hopping by searching libraries of small molecules. It can significantly reduce research time and cost through two primary approaches: structure-based virtual screening (SBVS) and ligand-based virtual screening (LBVS).

During this virtual workshop, you will learn:

-          Basics of the Hermes interface, the CCDC’s 3D visualizer for proteins.
-          Cavity detection and extraction in Hermes.
-          Step-by-step set-up of a virtual screening simulation in GOLD.
-          Analysis of virtual screening results.
-          Protein-ligand interactions insights using hotspots via Superstar

Register: https://www.ccdc.cam.ac.uk/community/events/virtual-workshops/free-virtual-workshop-how-to-use-the-docking-software-gold-to-perform-virtual-screening-simulations/