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Two new sesquiterpenes from Artemisia sieversiana 期刊论文
FITOTERAPIA, 2014, 卷号: 97, 页码: 43-49
作者:  Liu, Shi-Jun;  Liao, Zhi-Xin;  Liu, Chao;  Ji, Lan-Ju;  Sun, Hong-Fa
浏览  |  Adobe PDF(492Kb)  |  收藏  |  浏览/下载：405/136  |  提交时间：2014/12/19
Artemisia Sieversiana  Compositae  Sesquiterpene  Lignan  Flavone  Cytotoxic Activity  
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
浏览  |  Adobe PDF(708Kb)  |  收藏  |  浏览/下载：387/109  |  提交时间：2014/12/19
Hydroxycinnamoyl-coa Hydratase-lyase  Density Functional Theory Method  Catalytic Mechanism  Substrate Specificity  
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：259/0  |  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
浏览  |  Adobe PDF(1025Kb)  |  收藏  |  浏览/下载：319/68  |  提交时间：2014/12/19
Insight into the mechanism of aminomutase reaction: A case study of phenylalanine aminomutase by computational approach 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 46, 页码: 65-73
作者:  Wang, Kang;  Hou, Qianqian;  Liu, Yongjun;  Liu, YJ (reprint author), Shandong Univ, Sch Chem & Chem Engn, Key Lab Theoret & Computat Chem Univ Shandong, Jinan 250100, Shandong, Peoples R China.
Adobe PDF(2540Kb)  |  收藏  |  浏览/下载：453/86  |  提交时间：2014/05/09
Aminomutase  Density Functional Calculations  Enzymatic Reaction Mechanisms  Phenylalanine Aminomutase  Stereochemistry  
A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 9, 页码: 3821-3829
作者:  Cheng, Na;  Liu, Yongjun;  Zhang, Changqiao;  Liu, Chengbu
Adobe PDF(645Kb)  |  收藏  |  浏览/下载：626/163  |  提交时间：2014/05/09
Dft  Halogen Bonds  Iodoperfluoroarenes  Metal Halide  Nbo  
Theoretical study on the proton shuttle mechanism of saccharopine dehydrogenase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 44, 页码: 17-25
作者:  Sheng, Xiang;  Gao, Jun;  Liu, Yongjun;  Liu, Chengbu
Adobe PDF(2598Kb)  |  收藏  |  浏览/下载：961/145  |  提交时间：2014/05/09
Saccharopine Dehydrogenase  L-lysine Biosynthesis  Density Functional Theory (Dft) Method  Proton Shuttle  Reaction Mechanism  
Theoretical studies on the common catalytic mechanism of transketolase by using simplified models 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 39, 页码: 23-28
作者:  Sheng, Xiang;  Liu, Yongjun;  Liu, Chengbu
Adobe PDF(955Kb)  |  收藏  |  浏览/下载：512/125  |  提交时间：2014/05/09
Transketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  2-carbon Fragment Transfer  
QM/MM studies on the glycosylation mechanism of rice BGlu1 beta-glucosidase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2011, 卷号: 30, 期号: 14, 页码: 148-152
作者:  Wang, Jinhu;  Hou, Qianqian;  Dong, Lihua;  Liu, Yongjun;  Liu, Chengbu
浏览  |  Adobe PDF(420Kb)  |  收藏  |  浏览/下载：1176/293  |  提交时间：2011/12/14
Glycosylation  Beta-glucosidases  Qm/mm  Laminaribiose  Mechanism  
Receptor-based QSAR study for a series of 3,3-disubstituted-5-aryl oxindoles and 6-aryl benzimidazol-2-ones derivatives as progesterone receptor inhibitors 期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2011, 卷号: 22, 期号: 7-8, 页码: 775-799
作者:  Wang, J. H.;  Hou, Q. Q.;  Tang, K.;  Cheng, X. L.;  Dong, L. H.;  Liu, Y. J.;  Liu, C. B.
浏览  |  Adobe PDF(1310Kb)  |  收藏  |  浏览/下载：1261/272  |  提交时间：2011/12/14
Progesterone Receptor  Comparative Molecular Field Analysis (Comfa)  Comparative Molecular Similarity Indices Analysis (Comsia)  Inhibitor  Qsar