2023 Virtual Workshop: Virtual Screening of Target-Focused Libraries Using GOLD
Date of Event
10 May 2023
Wednesday, 10 May 2023
4 pm (BST)/ 11 am (EDT)
If you’re interested in performing structure-based virtual screening using GOLD, then this free, 90-minute, hands-on workshop is for you!
In drug discovery, virtual screening (VS) is a widely used computational method to search libraries of small molecules for hit identification, lead optimization, and scaffold hopping. VS can reduce research time and cost by using two different approaches: Structure-Based Virtual Screening (SBVS) and Ligand-Based Virtual Screening (LBVS). Here we focus on using SBVS to predict the most accurate ligand-protein interactions using GOLD.
- A brief overview of virtual screening.
- Step-by-step set-up of a virtual screening simulation in GOLD.
- Analysis of virtual screening results.
- Basics of the Hermes interface, the CCDC’s 3D visualizer for proteins.
- The workshop will be recorded and all registered participants will have access to the recording.
Who Should Attend?
- Discovery scientists and medicinal chemists.
- 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.
As this is an interactive workshop, you’ll need access to GOLD with a CSD-Discovery or CSD-Enterprise licence. Full academic licences include the software we use in this workshop.
If you do not have access to the CSD data and software, we can provide you with a temporary licence. When you register below, please check "No" to the question: "Do you or your institution have a current full CSD licence?" and we'll get you set up.
This workshop is open to everyone who wants to learn hands-on how to perform virtual screening using GOLD.
Basic knowledge of docking and GOLD would be ideal. If you have not used GOLD before, we would recommend the following module from our on-demand CSDU course: Protein-ligand docking 101 - running a simulation in GOLD, covering the basics of protein-ligand docking with GOLD.