GitHub / psa-lab / siteinterlock
A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed by graph theoretic constraint counting on the covalent and noncovalent bond network. Raschka et al. (2016) Proteins: Structure, Function, and Bioinformatics
JSON API: http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/psa-lab%2Fsiteinterlock
PURL: pkg:github/psa-lab/siteinterlock
Fork of rasbt/siteinterlock
Stars: 8
Forks: 4
Open issues: 0
License: gpl-3.0
Language: Python
Size: 15.5 MB
Dependencies parsed at: Pending
Created at: almost 9 years ago
Updated at: over 5 years ago
Pushed at: over 8 years ago
Last synced at: over 2 years ago
Topics: bioinformatics, biological-data-analysis, computational-biology, protein-ligand-docking, protein-structure, python, virtual-screening