In molecular docking to a single protein structure, only rank.py is used. In molecular docking to multiple protein structures (i.e., ensemble docking), rank.py is executed first, followed by unique.py.
-
Notifications
You must be signed in to change notification settings - Fork 0
kevinshliu/Protein-Ligand-Docking-Score-Ranking
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
About
Ranking of all the ligands in molecular docking by their AutoDock Vina scores, an approximation to their free energy of binding to the protein.
Topics
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published