Webinar: CSD Python API for Ensemble Docking
Date of Event
20 July 2023
Develop automated workflows and perform large-scale analyses for knowledge sharing
The CSD Python API is an advanced toolkit for carrying out in-depth searching and chemical analyses of the chemical data in the Cambridge Structural Database (CSD). It provides customizable capabilities for users to develop their own automated workflows and analyses, and to perform large-scale standard analyses for knowledge sharing.
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 use the API to perform ensemble docking
- How to visualize and analyse the results.
Who Should Attend
- Drug discovery scientists using computational
- Research scientists investigating protein–ligand docking
- Scientists working in the pharma industry on protein–ligand docking.