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

Beihong Ji, Shuhan Liu, Xibing He, Viet Hoang Man, Xiang Qun Xie, Junmei Wang

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Medicine & Life Sciences