This is a handy tool to: (1) featurize different kinase conformations as well as ligand interactions (module "featurizing") (2) model various kinase sequences each in various conformations (module "modeling") (3) dock various compatible ligands to any given kinase model (module "docking")
Usage:
Copyright (c) 2018, Jiaye Guo
Project based on the Computational Molecular Science Python Cookiecutter