Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3 beta (GSK3 beta) with Pyrazine ATP-competitive Inhibitors by 3D-QSAR, Molecular Docking, Molecular Dynamics Simulation and Free Energy Calculations

Zhu, JY; Wu, YQ; Xu, L; Jin, J

Zhu, JY; Jin, J (corresponding author), Jiangnan Univ, Sch Pharmaceut Sci, Wuxi 214122, Jiangsu, Peoples R China.

CURRENT COMPUTER-AIDED DRUG DESIGN, 2020; 16 (1): 17

Abstract

Background: Glycogen synthase kinase-3 (GSK3) is associated with various key biological processes and has been considered as an important therapeutic ......

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