2010-2012
1. Dane Huang, Qiong Gu, Hu, Ge, Jiming Ye, Noeris K. Salam, Arnie Hagler, Hongzhuan Chen, and Jun Xu*, On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based Approaches, Journal of Chemical Information and Modeling, Received: February 5, 2012.
2. Jianrong Xu, Jun Xu* and Hongzhuan Chen*, Interpreting the structural mechanism of action for MT7 and human muscarinic acetylcholine receptor 1 complex by modeling protein–protein interaction, Journal of Biomolecular Structure and Dynamics, 2012, Vol. 30, No. 1, 1–14.
3. Jiansong Fang , Dane Huang, Wenxia Zhao, Hu Ge, Hai-Bin Luo * , and Jun Xu*, A new protocol for predicting novel GSK-3β ATP competitive inhibitors, J. Chem. Inf. Model. 2011, 51, 1431–1438.
4. Wenxia Zhao, Ling Wang, Hu Ge, Qiong Gu, Jiabo Li*, Jun Xu*, Three-dimensional pharmacophore modeling of liver-1 X receptor agonists, J. Chem. Inf. Model., 2011, published as ASAP paper.
5. Liu, H., Hu, G., Peng, Y., Xiao, P., and Xu*, J. Molecular Mechanism of Action for Reversible P2Y12 Antagonists, Biophysical Chemistry, 2011, 155 74–81.
6. Yan, A., Wang, L., Xu, S., Xu*, J. Aurora-A Kinase Inhibitor Scaffolds and Binding Modes, Drug Discovery Today, Volume 16, Numbers 5/6, March 2011, 260-269.
7. Ge, H, Wang, Y., Xu*, J., et. al., Anti-flu Agents from TCM, Natural Product Reports, Royal Society of Chemistry, 2010, 1758-1780.
8. Jin-Qiang Hou, Shuo-Bin Chen, Jia-Heng Tan, Tian-Miao Ou, Hai-Bin Luo, Ding Li, Jun Xu, Lian-Quan Gu,* and Zhi-Shu Huang*, New Insights into the Structures of Ligand-Quadruplex Complexes from Molecular Dynamics Simulations, J. Phys. Chem. B 2010, 114, 15301–15310.
10. Ding, X., Jiang, L., Ke, C., Yang, Z., Lei, C., Cao, K., Xu, J., Xu, L., Yang, X., Zhang, Y, Huang, P., Huang, W., Zhu, X., He, Z., Liu, L., Li, J., Yuan, J., Wu, J., Tang*, X., Li*, M. Amino acid sequence analysis and identification of mutations under positive selection in hemagglutinin of 2009 influenza A (H1N1) isolates. Virus Genes, August 31, 2010, 41(3): 329-40.
11. Gu, Q., Xu*, J.; Gu*, L. Selecting Diversified Compounds to Build a Tangible Library for Biological and Biochemical Assays, Molecules, 2010, 15, 5031-5044.
12. Liu, H., Cui, W., Xu, J.*, Peng, Y.*, Zhou, J., and Xiao, P., Molecular Simulations of the Inhibition of Active Components in Traditional Chinese Medicine on the Thromboxane A2 Receptor, Acta Phys. Chim. Sin., 2010 Vol.26, 2549-2556.
13. Liu, H., Xu*, J. et. al., “Targets of Danshen’s Active Components for Activating Blood Circulation Activities”, Acta Phys. Chim. Sin., 2010, 26(1), 199-205.
14. Hou, J; Xu, J; Liu, M; Zhao, RZ; Luo, HB*; Ke, HM*.Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic acid, and role of the invariant glutamine, PLoS ONE, 2011, 6, e18092.
15. Liu, M; Yuan, MG; Li, Z; Cheng, YK ; Luo, HB*; Hu, XP*. Structural investigation into the inhibitory mechanisms of indomethacin and its analogues towards human glyoxalase I, Bioorg Med Chem Lett , 2011, 21 : 4243.
16. Chen, YY; Chen, GW; Luo, HB*. Molecular Insight into the Inhibitory Mechanism of Galangin Towards Human Cytochrome P450 1A2. A Modeling Study. Lett Drug Des Discov 2011, 8, 216.