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First princple calculation on the binding modes and critical stabilty constants of Aluminum chelator
[会议论文] 作者：Xi Chen,Chang-Guo Zhan,
来源：The International Conference on Theory and Applications of C 年份：2008
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[会议论文] 作者：Chang-Guo Zhan,Fang Zheng,
来源：2015杨凌国际农业科技论坛 年份：2015
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Fundamental Reaction Pathway and Free Energy Profile for Inhibition of Proteasome by Syringolin A (S
[会议论文] 作者：Donghui Wei,Chang-Guo Zhan,
来源：第十二届全国量子化学会议 年份：2014
Based on our previous work,[1,2] the molecular dynamics simulations and first-principles quantum mechanical/molecular mechanical free energy calculations(QM/MM-FE)have been performed to provide the de...
First princple calculation on the binding modes and critical stabilty constants of Aluminum chelator
[会议论文] 作者：Xi Chen,Chang-Guo Zhan,
来源：The International Conference on Theory and Applications of C 年份：2008
...
[会议论文] 作者：Donghui Wei,Chang-Guo Zhan,
来源：第十三届全国量子化学会议 年份：2017
First-principles quantum mechanical/molecular mechanical(QM/MM)-free energy calculations1-4 have been performed to uncover how uricase catalyzes metabolic reactions of uric acid(UA),demonstrating that...
[会议论文] 作者：Fang Zheng,Chang-Guo Zhan,
来源：2015杨凌国际农业科技论坛 年份：2015
...
Theoretical Investigation on the Reaction Mechanism Morita-Baylis-Hillman Reactions:On the Predictab
[会议论文] 作者：Xi Chen,Juan-Feng Lu,Chang-Guo Zhan,
来源：第十三届全国量子化学会议 年份：2017
Morita–Baylis–Hillman(MBH)reactions are important carbon-carbon bond formation reactions that attract many research interests....
Reaction pathways and free energy profiles for cholinesterase-catalyzed hydrolysis of 6-monoacetylmo
[会议论文] 作者：Yan Qiao,Keli Han,Chang-Guo Zhan,
来源：第十二届全国量子化学会议 年份：2014
As the most active metabolite of heroin,6-monoacetylmorphine(6-MAM)can penetrate into the brain for the rapid onset of heroin effects(Scheme 1).The primary enzymes responsible for the metabolism of 6-...
Reaction Pathway and Free Energy Profile for Acetylcholine Hydrolysis Catalyzed by Human Butyrylchol
[会议论文] 作者：Xi Chen,Lu Tingting,Chang-Guo Zhan,
来源：第十二届全国量子化学会议 年份：2014
The A199S/F227A/S287G/A328W/Y332G mutant of human butyrylcholineserase(BChE)catalyzes the hydrolysis of cocaine with high efficiency.It is not clear whether or not this hydrolyase will enhance the hyd...
Theoretical Investigation on the Reaction Mechanism Morita-Baylis-Hillman Reactions:On the Predictab
[会议论文] 作者：Xi Chen,Juan-Feng Lu,Chang-Guo Zhan,
来源：第十三届全国量子化学会议 年份：2017
Morita–Baylis–Hillman(MBH)reactions are important carbon-carbon bond formation reactions that attract many research interests....
[会议论文] 作者：Dongmei Li,Xiaoqin Huang,Chang-Guo Zhan,Keli Han,
来源：第十一届全国量子化学会议 年份：2011
...
Rational design and protein engineering to selectively increase catalytic efficiency of human butyry
[会议论文] 作者：Wen-Chao Yang,Fang Zheng,Da-Quan Gao,Chang-Guo Zhan,
来源：第七届全国化学生物学学术会议 年份：2011
...
Rational design and protein engineering to selectively increase catalytic efficiency of human butyry
[会议论文] 作者：Wen-Chao Yang,Fang Zheng,Da-Quan Gao,Chang-Guo Zhan,
来源：第七届全国化学生物学学术会议 年份：2011
...
[会议论文] 作者：Dongmei Li,Xiaoqin Huang,Keli Han,Chang-Guo Zhan,
来源：第十一届全国量子化学会议 年份：2011
...
Reaction Pathway and Free Energy Profile for Acetylcholine Hydrolysis Catalyzed by Human Butyrylchol
[会议论文] 作者：Xi Chen,Wenchao Yang,Junjun Liu,Lei Fang,Chang-Guo Zhan,
来源：International Conference on Theoretical and High Performance 年份：2013
The A199S/F227A/S287G/A328W/Y332G mutant of human butyrylcholineserase (BChE) catalyzes the hydrolysis of cocaine with high efficiency.It is not clear whether or not this hydrolyase will enhance the h...
The structure of 4-hydroxylphenylpyruvate dioxygenase complexed with 4-hydroxylphenylpyruvic acid re
[期刊论文] 作者：Xiaoning Wang,Hongyan Lin,Junjun Liu,Xinyun Zhao,Xi Chen,Wenchao Yang,Guangfu Yang,Chang-guo Zhan,
来源：中国化学快报:英文版 年份：2021
4-Hydroxyphenylpyruvate dioxygenase(HPPD)is an important target for both drug and pesticide discovery.As a typical Fe(II)-dependent dioxygenase,HPPD catalyzes the complicated transformation of 4-hydroxyphenylpyruvic acid(HPPA)to homogentisi......
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