Crash Course: Python Scripting for Molecular Docking
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In Online
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
This virtual event will take place Thursday, July 18, 2024 from 1-5pm Eastern, 10am-2pm Pacific.
Participation is free, but registration is required. Please register for this event to receive confirmation and the Zoom meeting information by email.
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 [email protected].
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
This virtual event will take place Thursday, July 18, 2024 from 1-5pm Eastern, 10am-2pm Pacific.
Participation is free, but registration is required. Please register for this event to receive confirmation and the Zoom meeting information by email.
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 [email protected].
Contact:
RCSB PDB
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