24. Youyong Li, Willaim A. Goddard III, Structural Transformations involved in signal transduction of the HAMP domain from Molecular Dynamics Simulations, to be submitted.
23. Youyong Li, Mamado Diallo, William A. Goddard III, The interaction between oligoethyleneoxy-modifed poly(propylene imine) dendrimers and rose bengal guests in water from computer simulation, to be submitted.
22. Youyong Li, et al. Predicted 3D structure of UT2R and dynamics with endogenous agonist, to be submitted.
21. Jun Yang, Mahender B. Dewal, Salvatore Profeta Jr., Mark D. Smith, Youyong Li, and Linda S. Shimizu, "Origins of selectivity for the [2+2] cycloaddition of alpha, beta-unsaturated ketones within a porous self-assembled organic framework." J. Am. Chem. Soc., 2008, 130, 612-621.
20. Youyong Li, William A. Goddard III, Prediction of the structure of G-Protein Coupled Recetpor with application for drug design, Pacific Symposium on Biocomputing 13: 344-353(2008)
19. Youyong Li, Fangqiang Zhu, Nagarajan Vaidehi, William A. Goddard III, et. al. Prediction of the 3D Structure and dynamics of Human DP G-Protein Coupled Receptor bound to an agonist and an antagonist, J. Am. Chem. Soc. 2007, 129 (35), 10720 -10731.
18. Tingjun Hou, Junmei Wang, Youyong Li, ADME evaluation in drug discovery. 8.The prediction of intestinal absorption by a support vector machine, Journal of Chemical Information and Modeling, 2007, 47, 2408-2415.
17. Tingjun Hou, Youyong Li, Wei Zhang, Junmei Wang, In silico predictions of intestinal absorption and bioavailability, Combinatorial Chemistry & High Throughput Screening, (invited review, in press)
16. Youyong Li, William A. Goddard III, Continuous self avoiding walk with application to the description of polymer chains, J. Phys. Chem. B. 2006, 110, 18134-18137.
15. Youyong Li, Shiang-Tai Lin, William A. Goddard III, Efficiency of various lattices from hardball to softball: theoretical study of thermodynamic properties of dendrimer liquid crystal from atomistic simulations, J. Am. Chem. Soc. 2004, 126, 1872-1885.
14. Youyong Li, William A. Goddard III, N. S. Murthy, Crystal structure and properties of N6/AMCC copolymer from theory and fiber XRD, Macromolecules 2003, 36, 900-907.
13. Youyong Li, William A. Goddard III, Nylon 6 Crystal Structures, Folds, and Lamellae from Theory, Macromolecules 2002, 35, 8440-8455.
12. Tingjun Hou, Youyong Li, Yuankang He, et al., Substituent effect on the geometrical structures and electronic properties of benzonitrile oligobenzonitriles, Acta Phys-Chim Sin 2000, 16 (10): 886-891
11. Tingjun Hou, Lili Zhu, Youyong Li, et al. “The localization and adsorption of benzene and propylene in ITQ-1 zeolite: grand canonical Monte Carlo simulations”, J. Mol. Struct.-Theo. 2001, 535: 9-23.
10. Youyong Li, Tingjun Hou, Senli Guo, Xiaojie Xu, The Mesodyn simulation of pluronic water mixtures using the 'equivalent chain' method, Phys. Chem. Chem. Phys., 2000, 2 (12): 2749-2753.
9. Jinfeng Wang, Xinruo Jia, Hong Zhong, Huizhong Wu, Youyong Li, Xiaojie Xu, Mingqian Li, Yen Wei. “Cinnamoyl shell-modified poly(amidoamine) dendrimers” J POLYM SCI POL CHEM 2000, 38 (22): 4147-4153.
8. Tingjun Hou, Youyong Li, Yuankang He, et al. “Substituents effect on the optical properties of benzonitrile and oligobenzonitriles” CHINESE CHEM LETT 2000, 11 (8): 693-696
7. Tingjun Hou, Youyong Li, Ning Liao, et al. “Three-dimension quantitative structure-activity relationship analysis of some cinnamamides using comparative molecular similarity indices analysis (CoMSIA)” J MOL MODEL 2000, 6 (5): 438-445.
6. Tingjun Hou, Yu An, Youyong Li, et al. “Electrostatic interactions in three types of metallothioneins aggregates” ACTA CHIM SINICA 2000, 58 (3): 313-318
5. Youyong Li, Tingjun Hou, Kaixuan Wang, et al. “Theoretical study of the mesoscopic morphology of the pluronics water mixtures” ACTA CHIM SINICA 2000, 58 (4): 402-406
4. Tingjun Hou, Junmei Wang, Youyong Li, et al. “Application of genetic algorithm to the QSAR research of pyrrolobenzothiazepinones and pyrrolobenzoxazepinones-novel and specific non-nucleoside HIV-1 reverse transcription inhibitors” CHINESE CHEM LETT 1998, 9 (7): 651-654
3. Junmei Wang, Tingjun Hou, Youyong Li, et al. “The QSAR research of pyrrolobenzothiazepinones and pyrrolobenzo-xazepinones - Novel and specific non-nucleoside HIV-1 reverse transcriptase inhibitors” CHINESE CHEM LETT 1997, 8 (10): 889-892
2. Youyong Li; Senli Guo; Xiaojie Xu. PROGRESS IN CHEMISTRY(Chinese), 2000, 12(4), 361.
1. Zengru Wu, Youyong Li, Xiaojie Xu“Screening of Combinatorial Libraries and Its Application in Drug Discovery” PKU2000-03-20 Vol.36 No.2 pp.275-285