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Projects in Awesome Lists tagged with sbvs
A curated list of projects in awesome lists tagged with sbvs .
https://github.com/unixjunkie/elekit2
EleKit2 computes the electrostatic complementarity between a docked ligand and its protein receptor
electrostatic-potential ligand protein sbvs similarity-score
Last synced: 15 Oct 2024
https://github.com/unixjunkie/ligprep
LigGrep is a program for identifying docked poses that participate in user-specified receptor/ligand interactions. It evaluates each docked pose and outputs the names of the compounds with poses that pass all filters.
Last synced: 15 Oct 2024
https://github.com/unixjunkie/elekit
EleKit measures the similarity of electrostatic potentials between a small molecule and a protein.
electrostatic-potential ligand protein sbvs similarity-score
Last synced: 15 Oct 2024
https://github.com/unixjunkie/autodock-vina
mirror of vina.scripps.edu/download v1.1.2
autodock-vina docking docking-application sbvs
Last synced: 15 Oct 2024