Youyong Li

Professor

B.Sc. Peking University(China),1997
M.Sc. Peking University(China),2000
PhD in Chemistry, California Institute of Technology(USA)2004.
Postdoctoral research,California Institute of Technology(USA)2005
Director of functional materials and biotech, Caltech,2006-2008
Professor Institute of Functional Nano & Soft Materials (FUNSOM), Soochow
University(China), since 2009

Tel:+86-0512-65882037
E-mail: yyli@suda.edu.cn

Research Group Homepage

modeling.org.cn/

Research Interests
Computational chemistry, computational materials, computational biology, functional nano-materials, the structure and function prediction of bio-materials, as well as the design of new materials

Main Contributions
Published over 40 papers in top journals and has one compound in preclinic trial with Sanofi‐Aventis. Served as the computational chemistry committee of Chinese Chemical Society and member of editorial board of Current Computational Aided Drug Design.

Selected Publications
1. “Optimal parameters for morphology of BHJ solar cells from simulations”, Junwei Xue, Tingjun Hou, Youyong Li*, Appl. Phys. Lett. 100, 053307 (2012).
2. “The influence of defect on Mo-doped TiO2 by First Principles Studies”, Xiaohui Yu, Tingjun Hou, Xuhui Sun*, Youyong Li*, ChemPhysChem, 13, 1514 (2012).
3. “The studies on the interactions between β2 adrenergic receptor and Gs protein by molecular dynamics simulations”, Zhiwei Feng, Tingjun Hou, and Youyong Li*, Journal of Chemical Information and Modeling, 52, 1005-1014 (2012).
4. “Living radical polymerization of acrylates and acrylamides mediated by a versatile cobalt porphyrin complex”, Yaguang Zhao, Huilong Dong, Youyong Li*, Xuefeng Fu*, Chem. Commun., 48, 3506-3508 (2012).
5. “Influence of doping effect on zinc oxide by first principles studies”, Yi Wang, Tingjun Hou, Sheng Tian, Shuit-Tong Lee, Youyong Li*, J. Phys. Chem. C, 115, 7706-7716 (2011).
6. "Origins of selectivity for the [2+2] cycloaddition of alpha, beta-unsaturated ketones within a porous self-assembled organic framework." Jun Yang, Mahender B. Dewal, Salvatore Profeta Jr., Mark D. Smith, Youyong Li, and Linda S. Shimizu, J. Am. Chem. Soc., 130, 612-621 (2008).
7. "Prediction of the 3D Structure and dynamics of Human DP G-Protein Coupled Receptor bound to an agonist and an antagonist", Youyong Li, Fangqiang Zhu, Nagarajan Vaidehi, William A. Goddard III, et. al. J. Am. Chem. Soc. 129 (35), 10720 -10731 (2007).
8. "Continuous self avoiding walk with application to the description of polymer chains", Youyong Li, William A. Goddard III, J. Phys. Chem. B., 110, 18134-18137 (2006).
9. "Efficiency of various lattices from hardball to softball: theoretical study of thermodynamic properties of dendrimer liquid crystal from atomistic simulations", Youyong Li, Shiang-Tai Lin, William A. Goddard III, J. Am. Chem. Soc. , 126, 1872-1885 (2004).
10. "Crystal structure and properties of N6/AMCC copolymer from theory and fiber XRD", Youyong Li, William A. Goddard III, N. S. Murthy, Macromolecules, 36, 900-907 (2003).
11. "Nylon 6 Crystal Structures, Folds, and Lamellae from Theory", Youyong Li, William A. Goddard III, Macromolecules, 35, 8440-8455 (2002).
12. "The Mesodyn simulation of pluronic water mixtures using the 'equivalent chain' method", Youyong Li, Tingjun Hou, Senli Guo, Xiaojie Xu, Phys. Chem. Chem. Phys., 2 (12): 2749-2753 (2000).