近期论文
1. 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, 1431–1438.2. 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.3. Liu, H., Hu, G., Peng, Y., Xiao, P., and Xu*, J. Molecular Mechanism of Action for Reversible P2Y12 Antagonists, Biophysical Chemistry 155 (2011) 74–81.4. 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, 260-269.5. Ge, H, Wang, Y., Xu*, J., et. al., Anti-flu Agents from TCM, Natural Product Reports, Royal Society of Chemistry, 2010, 1758-1780.6. 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):329-40.7. Gu, Q., Xu*, J.; Gu*, L. Selecting Diversified Compounds to Build a Tangible Library for Biological and Biochemical Assays. Molecules 2010, 15, 5031-5044.8. 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, 2549-2556.9. Liu, H., Xu*, J. et. al., “Targets of Danshen’s Active Components for Activating Blood Circulation Activities”, Acta Phys. Chim. Sin., 2010, 26(1), 199-205.10. Xu, J. et al. “Toward Automated Biochemotype Annotation for Commercial Available Compound Libraries”, 2006, Molecular Diversity, 495-509.11. Jun Xu, Qiang Zhang, and Chen-Kon Shih, “V-Cluster Algorithm: A New Algorithm for Clustering Molecules Based upon Numeric Data”, J. of Molecular Diversity., 2006, 10, 463-478.12. Xu, J. “2D-Structure and Substructure Searching”, Chemoinformatics - From Data to Knowledge, Ed. J. Gasteiger, 2003, Wiley-VCH.13. Xu, J., “A New Approach to Find Natural Chemical Structure Classes”, J. Medicinal Chemistry, 2002, 45, 5311-5320.14. Xu, J. and Hagler, A. “Chemoinformatics and Drug Discovery”, Molecules, 2002, 7, 566-600.15. Xu, J. and Stevenson, J., “Drug-Like Index: A New Approach to Measure Drug-Like Compounds and Their Diversity”, J. Chem. Inf. Comput. Sci., 2000, 40, 1177-1187.16. Xu, J., “C-13 NMR Spectral Prediction by Means of Generalized Atom Center Fragment Method”, 1997, Molecules, Vol. 2, 131-145.17. Xu, J., “GMA: A Generic Match Algorithm for structural Homorphism, Isomorphism, Maximal Common Substructure Match and Its Applications”, J. Chem. Inf. Comput. Sci., 1996, 36, 25-34.18. Xu, J., “The Use of Fuzzy Graph in Chemical Structure Research”, 1998, Fuzzy Logic in Chemistry, Academic Press., Ed. Dennis H. Rouvray, 249-281.19. Xu, J., Weber, P.L., Borer, P.N., “Computer-assisted assignment of peptides with non-standard amino acids”, Journal of Biomolecular NMR, 1995, No. 5, 183-192.20. Xu, J., Straus, S.K. and Sanctuary, B.C., “Use of fuzzy mathematics for complete automated assignment of protein 1H 2D NMR spectra”, J. Magn. Res., Series B., 1994, Vol. 103, 53-58.
