Crash Course: Python Scripting for Molecular Docking
Thursday, July 18, 2024 from 1-5pm Eastern, 10am-2pm Pacific
Watch the recording of the course on PDB-101 and access the related materials
In this workshop, we will use Python scripting to explore ligand binding to enzymes. In the process, we will use a number of python libraries and these notebooks will be customizable for individual research and teaching purposes.
At the completion of this workshop, users will be able to:
- Perform advanced searches of the RCSB Protein Data Bank with the rcsbsearchapi package
- Modify chemical structures with the rdkit library
- Dock ligands with enzymes, yielding visual and quantitative energy results
The workshop is intended for:
- Undergraduate students in any STEM discipline
- Graduate students and postdoctoral researchers in life sciences and data collection
- Faculty members who want to incorporate Python scripting into their teaching or research
- Professionals involved in collecting and analyzing data, particularly big data
A virtual office hour may be held on Monday July 15 (3pm-5pm Eastern) to help users with Python/Jupyter notebooks before the Crash Course. Please indicate on the registration form if interested.
Questions? Please contact info@rcsb.org.
Participants may also be interested in recordings of past training events, including Python Scripting for Biochemistry & Molecular Biology Part 1 and Part 2.
