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Computational evidence for the importance of lysine carboxylation in the reaction catalyzed by carboxyl transferase domain of pyruvate carboxylase: a QM/MM study
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2019, 卷号: 138, 期号: 1
作者:
Sheng, Xiang
;
Hou, Qianqian
;
Liu, Yongjun
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
Pyruvate carboxylase
Carboxylation of lysine
Quantum mechanical
molecular mechanical method (QM
MM)
Reaction mechanism
QM/MM study of the reaction mechanism of Cl-cis,cis-muconate with muconate lactonizing enzyme
期刊论文
BIOORGANIC CHEMISTRY, 2018, 卷号: 80, 页码: 453-460
作者:
Zhu, Ledong
;
Tang, Xiaowen
;
Li, Yanwei
;
Zhang, Ruiming
;
Wang, Junjie
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
Enolase family
Muconate lactonizing enzymes
Quantum
mechanics/molecular mechanics
Cl-cis,cis-muconate
Chlorobenzene
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
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study
期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2016, 卷号: 15, 期号: 8
作者:
Zhang, Xin[1]
;
Zhao, Yuan[2]
;
Duan, Xinli[3]
;
Zhang, Hui N.[4]
;
Cao, Zexing[5]
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/12/23
8-oxoguanine
oxidative DNA damage
QM/MM method
mechanism
molecular dynamics simulation
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun
;
Ma, Guangcai
;
Liu, Yongjun
;
Ling, Baoping
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/06/14
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun
;
Ma, Guangcai
;
Liu, Yongjun
;
Ling, Baoping
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/07/05
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun
;
Ma, Guangcai
;
Liu, Yongjun
;
Ling, Baoping
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/06/21
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun
;
Ma, Guangcai
;
Liu, Yongjun
;
Ling, Baoping
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/06/28
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun
;
Ma, Guangcai
;
Liu, Yongjun
;
Ling, Baoping
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/07/12
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015
Zhang, Shujun
;
Ma, Guangcai
;
Liu, Yongjun
;
Ling, Baoping
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/07/19
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