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科研机构
山东大学 [12]
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期刊论文 [12]
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2019 [1]
2017 [2]
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2015 [4]
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2013 [3]
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专题:山东大学
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Mechanical insights into the oxidative cleavage of resveratrol catalyzed by dioxygenase NOV1 from Novosphingobium aromaticivorans: confirmation of dioxygenase mechanism by QM/MM calculations
期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2019, 卷号: 9, 期号: 2, 页码: 444-455
作者:
Bai, Jie
;
Hou, Qianqian
;
Zhu, Wenyou
;
Liu, Yongjun
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/11
Mechanistic Insights into the Decoupled Desaturation and Epoxidation Catalyzed by Dioxygenase AsqJ Involved in the Biosynthesis of Quinolone Alkaloids
期刊论文
ACS CATALYSIS, 2017, 卷号: 7, 期号: 8, 页码: 5534-5543
作者:
Su, Hao
;
Sheng, Xiang
;
Zhu, Wenyou
;
Ma, Guangcai
;
Liu, Yongjun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/16
QM/MM
nonheme dioxygenase
desaturation
epoxidation
AsqJ
Tryptophan lyase (NosL): mechanistic insights into amine dehydrogenation and carboxyl fragment migration by QM/MM calculations
期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2017, 卷号: 7, 期号: 13, 页码: 2846-2856
作者:
Wang, Xiya
;
Zhu, Wenyou
;
Liu, Yongjun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/12
QM/MM studies on the calcium-assisted -elimination mechanism of pectate lyase from bacillus subtilis
期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2016, 卷号: 84, 期号: 11, 页码: 1606-1615
作者:
Ma, Guangcai
;
Zhu, Wenyou
;
Liu, Yongjun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/16
alpha-1,4-glycosidic bond
polysaccharide lyase
theoretical study
reaction mechanism
4,5-unsaturated digalacturonate
Quantum Mechanics and Molecular Mechanics Study of the Catalytic Mechanism of Human AMSH-LP Domain Deubiquitinating Enzymes
期刊论文
BIOCHEMISTRY, 2015, 卷号: 54, 期号: 33, 页码: 5225-5234
作者:
Zhu, Wenyou
;
Liu, Yongjun
;
Line, Baoping
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/17
Ring Contraction Catalyzed by the Metal-Dependent Radical SAM Enzyme: 7-Carboxy-7-deazaguanine Synthase from B. multivorans. Theoretical Insights into the Reaction Mechanism and the Influence of Metal Ions
期刊论文
ACS catalysis, 2015, 卷号: 5, 期号: 7, 页码: 3953-3965
作者:
Zhu, Wenyou
;
Liu, Yongjun
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/17
7-carboxy-7-deazaguanine synthase (QueE)
reaction mechanism
7-carboxy-7-deazaguanine (CDG)
6-carboxy-5
6
7
8-tetrahydropterin (CPH4)
QM/MM
SAM radical enzyme
Uncoupled Epimerization and Desaturation by Carbapenem Synthase: Mechanistic Insights from QM/MM Studies
期刊论文
ACS CATALYSIS, 2015, 卷号: 5, 期号: 9, 页码: 5556-5566
作者:
Ma, Guangcai
;
Zhu, Wenyou
;
Su, Hao
;
Cheng, Na
;
Liu, Yongjun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/17
carbapenem synthase
QM/MM
dioxygen binding
epimerization
desaturation
A QM/MM study of the reaction mechanism of (R)-hydroxynitrile lyases from Arabidopsis thaliana (AtHNL)
期刊论文
Proteins: Structure, Function, and Genetics, 2015, 卷号: 83, 期号: 1, 页码: 66-77
作者:
Zhu, Wenyou
;
Liu, Yongjun
;
Zhang, Rui
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/17
R-selective HNL enzyme
asymmetric synthesis
catalytic mechanism
theoretical study
chiral cyanohydrins
hydrocyanic acid
QM/MM study on the catalytic mechanism of cyclohexane-1,2-dione hydrolase (CDH)
期刊论文
Theoretical chemistry accounts, 2014, 期号: 2, 页码: 1442,1-9-
作者:
Wenyou Zhu
;
Yongjun Liu
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/17
Cyclohexane-1
2-dione (CDO)
Cyclohexane-1
2-dione hydrolase (CDH)
Reaction mechanism
QM/MM
Thiamine diphosphate (ThDP)-dependent enzyme
QM/MM study of the conversion mechanism of lysine to methylornithine catalyzed by methylornithine synthase (PylB)
期刊论文
Theoretical chemistry accounts, 2013, 期号: 9, 页码: 1385,1-8-
作者:
Wenyou Zhu
;
Yongjun Liu
;
Rui Zhang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/23
Lysine
Methylornithine
Reaction mechanism
QM/MM
Methylornithine synthase (PylB)
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