scholarly journals Fundamental reaction pathway and free energy profile of proteasome inhibition by syringolin A (SylA)

2015 ◽  
Vol 13 (24) ◽  
pp. 6857-6865 ◽  
Author(s):  
Donghui Wei ◽  
Mingsheng Tang ◽  
Chang-Guo Zhan
Keyword(s):  
Free Energy ◽  
First Principles ◽  
Reaction Pathway ◽  
Proteasome Inhibition ◽  
Energy Profile ◽  
Detailed Mechanism ◽  
Free Energy Profile ◽  
Inhibition Reaction

First-principles QM/MM-FE calculations led to understanding the detailed mechanism of the inhibition reaction of proteasome with SylA.

scholarly journals Fundamental Reaction Pathway and Free Energy Profile for Inhibition of Proteasome by Epoxomicin

2012 ◽  
Vol 134 (25) ◽  
pp. 10436-10450 ◽  
Author(s):  
Donghui Wei ◽  
Beilei Lei ◽  
Mingsheng Tang ◽  
Chang-Guo Zhan
Keyword(s):  
Free Energy ◽  
Reaction Pathway ◽  
Energy Profile ◽  
Free Energy Profile

scholarly journals Reaction Pathway and Free Energy Profile for Papain-Catalyzed Hydrolysis of N-Acetyl-Phe-Gly 4-Nitroanilide

Biochemistry ◽  
2013 ◽  
Vol 52 (30) ◽  
pp. 5145-5154 ◽  
Author(s):  
Donghui Wei ◽  
Xiaoqin Huang ◽  
Junjun Liu ◽  
Mingsheng Tang ◽  
Chang-Guo Zhan
Keyword(s):  
Free Energy ◽  
Reaction Pathway ◽  
Energy Profile ◽  
Free Energy Profile ◽  
Hydrolysis Of
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