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QM/MM Study of the Reaction Mechanism of the Carboxyl Transferase Domain of Pyruvate Carboxylase from Staphylococcus aureus 期刊论文
BIOCHEMISTRY, 2014, 卷号: 53, 期号: 27, 页码: 4455-4466
作者:  Sheng, Xiang;  Liu, Yongjun
收藏  |  浏览/下载：237/0  |  提交时间：2014/12/19
A QM/MM study of the catalytic mechanism of aspartate ammonia lyase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014, 卷号: 51, 页码: 113-119
作者:  Zhang, Jing;  Liu, Yongjun
浏览  |  Adobe PDF(2157Kb)  |  收藏  |  浏览/下载：372/87  |  提交时间：2014/12/19
Aspartate Ammonia Lyase  Qm/mm  Mutation  Reaction Mechanism  L-aspartate  
Theoretical investigation on the regioselectivity of Ni(COD)(2)-catalyzed [2+2+2] cycloaddition of unsymmetric diynes and CO2 期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2014, 卷号: 758, 页码: 45-54
作者:  Zhao, Yi;  Liu, Yuxia;  Bi, Siwei;  Liu, Yongjun
Adobe PDF(3229Kb)  |  收藏  |  浏览/下载：356/55  |  提交时间：2014/12/19
Cycloaddition  Diyne  Pyrone  Carbon Dioxide  Dft  
Theoretical Investigation on the Dissociation of (R)-Benzoin Catalyzed by Benzaldehyde Lyase 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2014, 卷号: 114, 期号: 6, 页码: 375-382
作者:  Zhang, Jing;  Sheng, Xiang;  Hou, QianQian;  Liu, Yongjun
Adobe PDF(858Kb)  |  收藏  |  浏览/下载：420/114  |  提交时间：2014/12/19
Benzaldehyde Lyase  Density Functional Theory Method  Reaction Mechanism  Thdp-dependent Enzyme  R-benzoin  
A Density Functional Theory Study on the Catalytic Mechanism of Hydroxycinnamoyl-CoA Hydratase-Lyase 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2014, 卷号: 114, 期号: 4, 页码: 249-254
作者:  Ma, Guangcai;  Li, Yulin;  Wei, Lixin;  Liu, Yongjun;  Liu, Chengbu
Adobe PDF(708Kb)  |  收藏  |  浏览/下载：391/110  |  提交时间：2014/12/19
Hydroxycinnamoyl-coa Hydratase-lyase  Density Functional Theory Method  Catalytic Mechanism  Substrate Specificity  
A theoretical study of the catalytic mechanism of oxalyl-CoA decarboxylase, an enzyme for treating urolithiasis 期刊论文
RSC ADVANCES, 2014, 卷号: 4, 期号: 67, 页码: 35777-35788
作者:  Sheng, Xiang;  Liu, Yongjun;  Zhang, Rui
Adobe PDF(2574Kb)  |  收藏  |  浏览/下载：425/67  |  提交时间：2014/12/19
The structures and properties of halogen bonds involving polyvalent halogen in complexes of FXOn (X = Cl, Br; n=0-3)-CH3CN 期刊论文
NEW JOURNAL OF CHEMISTRY, 2014, 卷号: 38, 期号: 3, 页码: 1256-1263
作者:  Cheng, Na;  Bi, Fuzhen;  Liu, Yongjun;  Zhang, Changqiao;  Liu, Chengbu
收藏  |  浏览/下载：272/0  |  提交时间：2014/12/19
QM/MM studies of the mechanism of unusual bifunctional fructose-1,6-bisphosphate aldolase/phosphatase 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 卷号: 16, 期号: 23, 页码: 11366-11373
作者:  Hou, Qianqian;  Sheng, Xiang;  Liu, Yongjun
收藏  |  浏览/下载：263/0  |  提交时间：2014/12/19
A QM/MM study of the catalytic mechanism of alpha-1,4-glucan lyase from the red seaweed Gracilariopsis lemaneiformis 期刊论文
RSC ADVANCES, 2014, 卷号: 4, 期号: 97, 页码: 54398-54408
作者:  Su, Hao;  Dong, Lihua;  Liu, Yongjun
收藏  |  浏览/下载：289/0  |  提交时间：2014/12/19
A QM/MM study of the catalytic mechanism of nicotinamidase 期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2014, 卷号: 12, 期号: 8, 页码: 1265-1277
作者:  Sheng, Xiang;  Liu, Yongjun
Adobe PDF(1025Kb)  |  收藏  |  浏览/下载：322/70  |  提交时间：2014/12/19