Monday 13 September 2021 – Friday 17 September 2021

The CCDC are pleased to sponsor the EUROPIN Summer School on Drug Design - Vienna. For this 2021 edition the Summer School is fully virtual.

 

To register for our sessions and learn more visit the organiser's website here.

 

Workshop: Structure-based drug design with CSD-Discovery

Wednesday 15th September 2021 - 15:30 - 17:00 (CEST)

Dr Abhik Mukhopadhyay and Dr Francesca Stanzione will guide you through a practical example of structure-based drug design, using CSD-Discovery tools.

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.

 

Presentation - title TBC

Friday 17th September 2021 - 08:30 (CEST)

Dr Abhik Mukhopadhyay will present on the value of structure-based drug design within the drug discovery toolkit.