Prediction of the binding affinities and selectivity for CB1 and CB2 ligands using homology modeling, molecular docking, molecular dynamics simulations, and MM-PBSA binding free energy calculations
Ji, Beihong, Liu, Shuhan, He, Xibing, Man, Viet Hoang, Xie, Xiang-Qun, Wang, JunmeiLanguage:
english
Journal:
ACS Chemical Neuroscience
DOI:
10.1021/acschemneuro.9b00696
Date:
March, 2020
File:
PDF, 3.18 MB
english, 2020