Thursday, 24th March 16:00 to 18:30 UTC+8 (MYT) (08:00am - 10:30am GMT)

Join us for this free, online, introductory session showing how CSD software and data can support your research in drug discovery and design.

We will summarize the range of tools available to analyse and validate molecular structures, and then focus on protein-ligand docking for a hands-on workshop where you can try an example problem.

This session is jointly organized with the Centre for Natural Products Research and Drug Discovery (CENAR) at the Universiti Malaya.

It is open for anybody to join, and is timed for scientists in the UTC+8 time zone.


You will learn:

  • What tools are available to analyse and validate molecular structures.

  • How to leverage big-data insights to inform and guide your work (in drug design or material design).

  • The basics of protein-ligand docking.

  • How to run a standard protein ligand dock. This section includes a hands-on workshop where you will complete an example problem, with our team on hand to help answer questions.

  • How to identify the correct binding modes reliably and with confidence.

  • The basics of how GOLD can be used in virtual screening and lead optimisation.


Who should attend?

  • Post-graduate students in chemistry, pharmaceutical sciences, biochemistry and related fields.

  • Academic researchers working in drug discovery or development.

  • Scientists working in molecular design, who are interested in ways to validate and analyse their structures.



  • This is an entry-level session. Anyone can join, but some knowledge of docking and drug discovery would be useful.

  • To participate in the hands-on workshop, you must have the CSD Software installed and an active CSD-Discovery (or above*) license. (*CSD-Discovery, or CSD-Enterprise).

  • If you do not have a licence please indicate on your registration and we can provide a temporary licence to cover the workshop.