In drug discovery, it is important to understand how a small molecule (ligand) and a protein will bind. Protein-ligand docking is a computational method to predict the configuration of such interactions and an important step during drug design.
In this free virtual workshop, designed for complete beginners to GOLD, you will learn the basics of how to perform protein-ligand docking using the CCDC's docking software GOLD.
We will cover:
The basics of the Hermes interface, the CCDC’s 3D visualiser for proteins.
Step-by-step basics of GOLD.
Where to get started with your docking simulation and how to run a standard protein-ligand dock with GOLD.
How to identify the correct binding modes reliably and with confidence.
Requirements
This is an entry-level session, anyone can join and no prior experience is required.
You must have the CSD Software installed and an active CSD-Discovery (or above*) license. (*CSD-Discovery, or CSD-Enterprise. All academic licenses include the software we use in this workshop.). A temporary licence is available to cover the workshop, please state if you do not have a licence when registering.
This event will be recorded and all registered participants will have access to the recording.
