| 1 |
The reaction mechanism of UDP-GlcNAc 5,6-dehydratase: a quantum mechanical/molecular mechanical (QM/MM) study
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期刊论文 |
Guangcai Ma|Yongjun Liu| |
| 2 |
Catalytic mechanisms of Au11 and Au11-nPtn (n=1–2) clusters: a DFT investigation on the oxidation of CO by O2
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期刊论文 |
Xueli Cheng|Yanyun Zhao|Feng Li|Yongjun Liu| |
| 3 |
Exploring the substrate-assisted acetylation mechanism by UDP-linked sugar N- acetyltransferase from QM/MM calculations: the role of residue Asn84 and the e？ects of starting geometries
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期刊论文 |
Guangcai Ma|Na Cheng|Hao Su|Yongjun Liu| |
| 4 |
A theoretical study of the catalytic mechanism of oxalyl-CoA decarboxylase, an enzyme for treating urolithiasis
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期刊论文 |
Xiang Sheng|Yongjun Liu|Rui Zhang| |
| 5 |
Quantum Mechanics and Molecular Mechanics Study of the Catalytic Mechanism of Human AMSH-LP Domain Deubiquitinating Enzymes
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期刊论文 |
Wenyou Zhu|Yongjun Liu|Baoping Ling| |
| 6 |
A QM/MM study on the catalytic mechanism of pyruvate decarboxylase
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期刊论文 |
Qianqian Hou|Jun Gao|Yongjun Liu|Chengbu Liu| |
| 7 |
Insight in to the mechanism of aminomutase reaction: A case study of phenylanine aminomutase by computational approach
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期刊论文 |
Kang wang|Qianqian Hou|Yongjun Liu| |
| 8 |
A QM/MM study of the reaction mechanism of (R)-hydroxynitrile lyases from Arabidopsis thaliana (AtHNL)
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期刊论文 |
Wenyou Zhu|Yongjun Liu|Rui Zhang| |
| 9 |
Theoretical Investigation on the Dissociation of (R)-Benzoin Catalyzed by Benzaldehyde Lyase
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期刊论文 |
Jing Zhang|Xiang Sheng|Qianqian Hou|Yongjun Liu*| |
| 10 |
Role of F- in the hydrolysis-condensation mechanisms of silicon alkoxide Si(OCH3)(4): a DFT investigation
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期刊论文 |
Cheng, Xueli|Zhao, Yanyun|Liu, Yongjun|Li, Feng| |
| 11 |
Mechanisms of Silicon Alkoxide Hydrolysis–Oligomerization Reactions: A DFT Investigation
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期刊论文 |
Xueli Cheng|Dairong Chen|Yongjun Liu| |
| 12 |
A QM/MM study of the catalytic mechanism of nicotinamidase
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期刊论文 |
Xiang Sheng|Yongjun Liu| |
| 13 |
Theoretical studies on the interaction of biphenyl inhibitors with Mycobacterium tuberculosis protein tyrosine phosphatase MptpB
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期刊论文 |
Lihua Dong|Junyou Shi|Yongjun Liu| |
| 14 |
A Density Functional Theory Study on the Catalytic Mechanism of Hydroxycinnamoyl-CoA Hydratase-Lyase
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期刊论文 |
Li, Yulin|Wei, Lixin|Liu, Yongjun|Liu, Chengbu| |
| 15 |
Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosis l-alanine dehydrogenase
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期刊论文 |
Min Sun|Siwei Bi|Zhihong Jing|Yongjun Liu*| |
| 16 |
Theoretical study on the proton shuttle mechanism of saccharopine dehydrogenase
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期刊论文 |
Sheng, Xiang|Gao, Jun|Liu, Yongjun|Liu, Chengbu| |
| 17 |
X-ray crystallography and QM/MM investigation on the oligosaccharide synthesis mechanism of rice BGlu1 glycosynthases
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期刊论文 |
Wang, Jinhu|Pengthaisong, Salila|Cairns, James R. Ketudat|Liu, Yongjun| |
| 18 |
QM/MM study on the catalytic mechanism of cyclohexane-1,2- dione hydrolase (CDH)
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期刊论文 |
Wenyou Zhu|Yongjun Liu| |
| 19 |
Theoretical study of the catalytic mechanism of E1 subunit of pyruvate dehydrogenase multienzyme complex from bacillus stearothermophilus
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期刊论文 |
Xiang Sheng|Yongjun Liu| |
| 20 |
Theoretical investigatins on the synthesis mechansim of cyanuric acid from NH3 and CO2
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期刊论文 |
Xueli Cheng|Yanyun Zhao|Weiqun Zhu|Yongjun Liu| |
| 21 |
Water Promoting Electron Hole Transport between Tyrosine and Cysteine in Proteins via a Special Mechanism: Double Proton Coupled Electron Transfer
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期刊论文 |
Yanfang Zhang|Xin Qin|Yongjun Liu|Yuxiang Bu| |
| 22 |
A Density Functional Theory Study on the Catalytic Mechanism of Hydroxycinnamoyl-CoA Hydratase-Lyase
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期刊论文 |
Guangcai Ma, Yulin Li, Lixin Wei, Yongjun Liu*, Ch| |
| 23 |
Uncoupled Epimerization and Desaturation by Carbapenem Synthase: Mechanistic Insights from QM/MM Studies
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期刊论文 |
Wenyou Zhu|Hao Su|Na Cheng|Yongjun Liu| |
| 24 |
QM/MM investigation on the catalytic mechanism of Bacteroides thetaiotaomicron alpha -glucosidase BtGH97a
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期刊论文 |
Xiang Sheng|Yi Zhao|Yongjun Liu|Chengbu Liu| |
| 25 |
Theoretical study of the hydrolysis mechanism of2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI
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期刊论文 |
Shujun Zhang|Guangcai Ma|Yongjun Liu|Baoping Ling| |
| 26 |
QM/MM study o f the conversion mechanism of lysine to methylornithine catalyzed by methylonitine sythase (PyiB)
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期刊论文 |
Wenyou Zhu|Yongjun Liu|Rui Zhang| |
| 27 |
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 In？uence of Metal Ions
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期刊论文 |
Wenyou Zhu|Yongjun Liu| |
| 28 |
A QM/MM study of the catalytic mechanism of a-1,4-glucan lyase from the red seaweed Gracilariopsis lemaneiformis
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期刊论文 |
Hao Su|Lihua Dong|Yongjun Liu| |
| 29 |
Insights into the catalytic mechanism of dTDP-glucose 4,6-dehydratase from quantum mechanics/molecular mechanics simulations
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期刊论文 |
Guangcai Ma|Lihua Dong|Yongjun Liu| |
| 30 |
A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides
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期刊论文 |
Cheng, Na|Liu, Yongjun|Zhang, Changqiao|Liu, Chengbu| |
| 31 |
Theoretical study on the proton shuttle mechanism of saccharopine
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期刊论文 |
Xiang Sheng|Jun Gao|Yongjun Liu|Chengbu Liu| |
| 32 |
Theoretical study on the degradation of ADP-ribose polymer catalyzed by poly(ADP-ribose) glycohydrolase
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期刊论文 |
Hu, Xin|Sheng, Xiang|Liu, Yongjun|Liu, Chengbu| |
| 33 |
羰基化合物在Si(100)表面[2+2]环加成和α-H裂解反应的选择性(英文)
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期刊论文 |
程玉桥|孟祥华|刘永军*|刘成卜| |
| 34 |
A QM/MM study of the catalytic mechanism of succinic semialdehyde dehydrogenase from Synechococcus sp. PCC 7002 and Salmonella typhimurium
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期刊论文 |
Jing Zhang|Yongjun Liu| |
| 35 |
QM/MM studies of the mechanism of unusual bifunctional fructose-1,6-bisphosphate aldolase/phosphatase
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期刊论文 |
Qianqian Hou|Xiang Sheng|Yongjun Liu| |
| 36 |
Theoretical studies on the common catalytic mechanism of transketolase by using simpli？ed models
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期刊论文 |
Xiang Sheng|Yongjun Liu|Chengbu Liu| |
| 37 |
Theoretical study on copper-catalyzed reaction of hydrosilane, alkyne and carbon dioxide: A hydrogencarboxylation or hydrosilylation process?
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期刊论文 |
Yi zhao|Yuxia Liu|Siwei Bi|Yongjun Liu| |
| 38 |
Computational studies on the catalytic mechanism of phosphoketolase
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期刊论文 |
Jing Zhang|Yongjun Liu| |
| 39 |
The structures and properties of halogen bonds involving polyvalent halogen in complexes of FXOn (X = Cl, Br; n = 0–3)–CH3CN
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期刊论文 |
Fuzhen Bi|Yongjun Liu|Changqiao Zhang|Chengbu Liu| |
| 40 |
Theoretical study on the deglycosylation mechanism of rice BGlu1 beta-glucosidase
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期刊论文 |
Sheng, Xiang|Gao, Jun|Liu, Yongjun|Liu, Chengbu| |
| 41 |
QM/MM study of the mechanism of enzymatic limonene 1,2-epoxide hydrolysis
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期刊论文 |
X. Sheng|J.H. Wang|Y.J. Liu|C.B. Liu| |
| 42 |
QM/MM Study of the Reaction Mechanism of the Carboxyl Transferase Domain of Pyruvate Carboxylase from Staphylococcus aureus
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期刊论文 |
Xiang Sheng|Yongjun Liu| |
| 43 |
A QM/MM study of the catalytic mechanism of aspartate ammonia lyase
|
期刊论文 |
Jing Zhang|Yongjun Liu| |
| 44 |
Mechanistic investigations of Al(OH)(3) oligomerization mechanisms
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期刊论文 |
Cheng, Xueli|Ding, Wenchao|Liu, Yongjun|Chen, Dairong| |
| 45 |
Methanolysis of Si(OCH3)4 and Al(OCH3)3 alkoxide: A comparative study with DFT method
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期刊论文 |
Xueli Cheng|Guofang He|Liqing Li|Yongjun Liu| |
| 46 |
Theoretical investigation on the regioselectivity of Ni(COD)2-catalyzed [2 t 2 t 2] cycloaddition of unsymmetric diynes and CO2
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期刊论文 |
Yi Zhao|Yuxia Liu|Siwei Bi|Yongjun Liu| |
| 47 |
QM/MM studies on the catalytic mechanism of Phenylethanolamine N-methyltransferase
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期刊论文 |
J.H. Wang|J. Gao|Y.J. Liu|C.B. Liu| |
