Python Scripting for Molecular Docking: Manipulating Molecules with RDKit
Автор: RCSBProteinDataBank
Загружено: 2024-09-13
Просмотров: 2075
In this workshop, Python scripting and libraries are used to explore ligand binding to enzymes. This course was developed by Paul A. Craig (Rochester Institute of Technology) and Jessica A. Nash (Molecular Sciences Software Institute).
Full course on PDB-101 with links to corresponding Jupyter Notebooks and development environment set up instructions:
https://pdb101.rcsb.org/train/trainin...
If you have little or no prior coding experience with Python, you are encouraged to go through the two previous PDB-101 courses on Python:
Python Scripting for Biochemistry & Molecular Biology | Part 1 (https://pdb101.rcsb.org/train/trainin...)
Python Scripting for Biochemistry & Molecular Biology | Part 2 (https://pdb101.rcsb.org/train/trainin...)
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