Structure-based drug design with CSD-Discovery
In this workshop you will learn how to, given a protein-ligand complex, analyse the geometry of your ligand molecule as well as the interactions between the ligand and the protein binding site; how to simultaneously mine 3D information from both CSD and PDB structures using pharmacophore features to identify ligand modifications and scaffold hops that are tolerated in the protein binding site; how to predict the binding mode of new compounds using flexible protein-ligand docking.
Applications you will use: Mogul, SuperStar, CSD-CrossMiner, GOLD.
Date: 19th May 2020
Venue: The Studio, Leeds, UK
For more information, visit the website.