Drug discovery scientists use protein–ligand docking to identify potential compounds that bind to a specific target. Ensemble docking accounts for protein flexibility, using multiple conformations of a given target.
During the webinar, we will demonstrate:
- A brief introduction to the CSD-Python API
- How to use the API to perform ensemble docking
- How to visualize and analyse the results.
Who should attend:
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Drug discovery scientists using computational
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Research scientists investigating protein–ligand docking
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Scientists working in the pharma industry on protein–ligand docking.
