The Wang Lab – Modeling Drug Molecules

王乾韬课题组 - 药物分子模拟

2022

Reliable Prediction of the Protein–Ligand Binding Affinity Using a Charge Penetration Corrected AMOEBA Force Field: A Case Study of Drug Resistance Mutations in Abl Kinase

2022-09-26

Qu, Xiaoyang; Dong, Lina; Si, Yubing; Zhao, Yuan; Wang, Qiantao*; Su, Peifeng; Wang, Binju*; Reliable Prediction of the Protein–Ligand Binding Affinity Using a Charge Penetration Corrected AMOEBA Force Field: A Case Study of Drug Resistance Mutations in Abl Kinase, J. Chem. Theory Comput., 2022, 18(3), 1692-1700


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