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Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3DQSAR, Molecular Docking, Molecular Dynamics Simulation and Free Energy Calculations
Zhu, Jingyu, Wu, Yuanqing, Xu, Lei, Jin, JianVolume:
16
Language:
english
Journal:
Current Computer-Aided Drug Design
DOI:
10.2174/1573409915666190708102459
Date:
January, 2020
File:
PDF, 3.54 MB
english, 2020