Theoretical Exploring Selective-Binding Mechanisms of JAK3 by 3D-QSAR, Molecular Dynamics Simulation and Free Energy Calculation

Zhu, JY; Yu, QQ; Cai, YF; Chen, Y; Liu, H; Liang, WQ; Jin, J

Zhu, JY; Jin, J (corresponding author), Jiangnan Univ, Sch Pharmaceut Sci, Wuxi, Jiangsu, Peoples R China.; Liang, WQ (corresponding author), CF PharmTech Inc, Suzhou, Peoples R China.

FRONTIERS IN MOLECULAR BIOSCIENCES, 2020; 7 ():

Abstract

Janus kinase 3 (JAK3) plays a critical role in the JAK/STAT signaling pathway and has become an attractive selective target for the treatment of immun......

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