Computational Prediction of Hot Spots and Binding Site of Inhibitor NSC23766 on Rac1 Binding With Tiam1

Computational Prediction of Hot Spots and Binding Site of Inhibitor NSC23766 on Rac1 Binding With Tiam1

Rac1 is a small signaling protein, which belongs to the Rho subfamily of Ras superfamily. It is activated by binding GTP and inactivated by exchanging GDP for GTP. The ability of nucleotide exchange depends on guanine nucleotide exchange factors (GEFs) family proteins. T-lymphoma invasion and metast...

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Bibliographic Details
Main Authors: Chunwen Zheng, Xiaodong Wu, Ruijie Zeng, Lirui Lin, Liyan Xu, Enmin Li, Geng Dong
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-02-01
Series:Frontiers in Chemistry
Subjects:
Rac1
Tiam1
NSC23766
molecular docking
MD simulation
binding free energy
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2020.625437/full

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