CCDC Virtual Workshop: First Steps in Protein-Ligand Docking With GOLD

If you are working in the field of drug discovery and want to learn step-by-step how to perform protein-ligand docking, then this free, 90-minute, hands-on workshop is for you!

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 90-minute hands-on CCDC Virtual Workshop, designed for complete beginners to GOLD, you will learn hands-on the basics of how to perform protein-ligand docking using the CCDC's docking software GOLD.

What we will cover

In this workshop we will focus on performing a docking simulation using GOLD. The session will include presentations and demonstrations by CCDC expert tutors and a hands-on part for you to try the software, with the tutors available to help you and answer your questions.

You will learn:

• The basics of the Hermes interface, the CCDC’s 3D visualiser for proteins.

• Step-by-step basics of docking using 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.

The workshop will be recorded and all registered participants will have access to the recording.

Software requirements

As this is an interactive workshop, you’ll need access to GOLD, which can be found in CSD-Discovery or CSD-Enterprise licence. Full academic licences include the software we use in this workshop. If you are unsure whether your institution already has a license, please get in touch with us using the form on the Contact Us webpage.

If you do not have access to the CSD, we can provide you with a temporary licence. When you register, please check "No" to the question:Â "Do you or your institution have a current full CSD licence?" and we'll get you set up.

If you have already got the CSD installed you will need to check you have the most up to date version of the software. Click here for more information.

Entry Requirements

This workshop is open to everyone who wants to learn hands-on how to use GOLD to perform protein-ligand docking simulations. This is an entry-level session, so anyone can join and no prior experience is required.

Who should attend?

• Discovery scientists.

• Research scientists investigating protein-ligand docking.

• PhD and post-doc level scientists in academia interested in protein-ligand docking.

• Industrial / commercial scientists working on protein-ligand docking.

• Scientists using computational methods in drug discovery.

• Educators in the biochemistry and biomedical area looking to incorporate the CSD into their teaching.