Tuesday 19 May 2020

  

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.