刘桂霞 教授 博士生导师
Guixia Liu
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电话(Tel): +86-21-64250811
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传真(Fax): +86-21-64253651
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E-mail: Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined Classifiers. J. Chem. Inf. Model., 2011, 51, 996-1011.
20. Feixiong Cheng, Jie Shen, Yue Yu, Weihua Li, Guixia Liu, Philip W. Lee, and Yun Tang*. In Silico prediction of Tetrahymena pyriformis toxicity for diverse industrial chemicals with substructure pattern recognition and machine learning methods. Chemosphere, 2011, 82, 1636-1643.
21. Cui Li, Jie Shen, Weihua Li, Chunhua Lu, Guixia Liu*, Yun Tang*. Possible ligand entry/release pathway of dipeptidyl peptidase IV investigated by molecular dynamics simulations. Proteins, 2011, 79, 1800-1809.
22. Chunhua Lu, Fangfang Jin, Cui Li, Weihua Li, Guixia Liu*, Yun Tang*. Insights into binding modes of 5-HT2c receptor antagonists with ligand-based and receptor-based methods. J. Mol. Model., 2011, 17, 2513-2523.
23. Weihua Li, Jie Shen, Guixia Liu, Yun Tang, Tyuji Hoshino. Exploring coumarin egress channels in human cytochrome P450 2A6 by random acceleration and steered molecular dynamics simulations. Proteins, 2011, 79, 271-281.
24. Yaozong Li, Jie Shen, Xianqiang Sun, Weihua Li, Guixia Liu, Yun Tang, Accuracy assement of protein-based docking programs against DNA targets, J. Chem. Inf. Model., 2010, 50, 1134-1146.
25. Jianxin Cheng, Guixia Liu*, Jing Zhang, Zhejun Xu, Yun Tang*. Insights into subtype selectivity of opioid agonists by ligand-based and structure-based methods. J. Mol. Model., 2011, 17, 477-493.
26. Zhejun Xu, Feixiong Cheng, Chenxiao Da, Guixia Liu, Yun Tang. Pharmacophore modeling of human adenosine receptor A2A antagonists. J. Mol. Model., 2010, 16, 1867-1876.
27. Feixiong Cheng, Zhejun Xu, Guixia Liu, Yun Tang. Insights into binding modes of adenosine A2B antagonists with ligand-based and receptor-based methods. Eur. J. Med. Chem., 2010, 45, 3459-3471.
28. Jie Shen, Weihua Li, Guixia Liu, Yun Tang, Hualiang Jiang. Computational insights into mechanism of ligand unbinding and selectivity of estrogen receptors. J. Phys. Chem. B, 2009, 113, 10436-10444.
29. Jing Zhang, Guixia Liu*, Yun Tang. Chemical function-based pharmacophore generation of selective k-opioid receptor agonists by catalyst and phase. J. Mol. Model., 2009, 15, 1027-1041.
30. Juan Zeng, Weihua Li, Yaxue Zhao,
Guixia Liu*, Yun Tang*, Huangliang Jiang.
Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations.
J. Phys. Chem. B, 2008, 112, 2719-2726.
31. Zhaohu Lin, Hong Shen, Jin Huang, Shuai Chen, Lili Chen, Jing Chen, Guixia Liu, Hualiang Jiang, Xu Shen. Butyl 4-(butyryloxy)benzoate functions as a new selective estrogen receptor β agonist and induces GLUT4 expression in CHO-K1 cells. J. Steroid Biochem. Mol. Biol., 2008, 110, 150-156.
32. Yaxue Zhao, Weihua Li, Juan Zeng, Guixia Liu, Yun Tang. Insights into the interactions between HIV-1 integrase and human LEDGF/p75 by molecular dynamics simulation and free energy calculation. Proteins: Structure, Function, and Bioinformatics, 2008, 72, 635-645.
33. Jie Shen, Yiping Du, Yaxue Zhao, Guixia Liu, Yun Tang. In silico prediction of blood-brain partitioning using a chemometric method called Genetic Algorithm Based Variable Selection. QSAR Comb. Sci., 2008, 27, 704-717.
34. Juan Zeng,Guixia Liu*, Yun Tang, Hualiang Jiang. 3D-QSAR studies on fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors by CoMFA and CoMSIA. J. Mol. Model., 2007, 13, 993-1000.
35. Guixia Liu, Jinzhi Tan, Chunying Niu, Jianhua Shen, Xiaomin Luo, Xu Shen, Kaixian Chen, Hualiang Jiang. Molecular dynamics simulations of the interaction between protein-tyrosine phosphatase 1B and a bidentate inhibitor. Acta. Pharmacol. Sin., 2006, 27, 100-110.
36. Guixia Liu, Zhenshan Zhang, Xiaomin Luo, Jianhua, Shen, Hong Liu, Xu Shen, Kaixian Chen, Hualiang Jiang. Inhibitory mode of indole-2-carboxamide derivatives against HLGPa: molecular docking and 3D-QSAR analyses. Bioorg. Med. Chem., 2004, 12, 4147-4157.
37. Guixia Liu, Zesheng Li, Yihong Ding, Qiang Fu, Xuri Huang Chiachung Sun, Auchin Tang. Water-assisted isomerization from linear propargylium (H2CCCH+) to cyclopropenylium (c-C3H3+). J. Phys. Chem. A, 2002, 106, 10415-10422.
38. Guixia Liu, Yihong Ding, Zesheng Li, Qiang Fu, Xuri Huang, Chiachung Sun, Auchin Tang, Theoretical study on mechanisms of the high-temperature reactions C2H3+H2O and C2H4+OH, Phys. Chem. Chem. Phys., 2002, 4, 1021-1027.
39. Guixia Liu, Zesheng Li, Jingfa Xiao, Jingyao Liu, Qiang Fu, Xuri Huang, Chiachung Sun, Auchin Tang. Calculations of the rate constants for the hydrogen abstraction reactions C2H3+CH4→C2H4+CH3 and C2H3+C2H6→C2H4+C2H5. ChemPhysChem, 2002, No. 7, 625-629.
