![劉海燕[中國科學技術大學生命科學學院教授]](/img/2/94c/nBnauM3XyUDNzkzNzUDN5IDN0UTMyITNykTO0EDMwAjMwUzL1QzL1YzLt92YucmbvRWdo5Cd0FmLxE2LvoDc0RHa.jpg "劉海燕[中國科學技術大學生命科學學院教授]")
人物經歷
曾於1993-1995年作為聯合培養研究生在瑞士蘇黎世高等理工學院物理化學實驗室學習；
1998-2000年在杜克大學和北卡羅來納大學作博士後研究；
現為校生命科學學院教授、博士生導師。
研究方向
生物大分子的計算機模擬與蛋白質空間結構的生物信息學。目前研究內容包括在原子運動層次描述大分子和溶液體系中化學反應、構象變化、蛋白與多肽摺疊等活化過程的模型與計算方法；上述模型與方法在闡明生物學結構功能關係和分子設計中的套用；結構基因組研究中生物信息學方法的套用。
主要貢獻
1. Jianbin He，Zhiyong Zhang， Yunyu Shi*， Haiyan Liu*； Efficiently explore the energy landscape of proteins in molecular dynamics simulations by amplifying collective motions， J.Chem.Phys. 2003, in press.
2. Jiang Zhu, Qianqian Zhu, Yunyu Shi* and Haiyan Liu*; How Good can We Predict Native Contacts in Proteins Based on Decoy Structures and Their Energies? Proteins, 2003，in press.
3. G.. A. Cisnero, H. Liu, Y. Zhang and W. Yang*; Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomerase, J. Am. Chem. Soc., 2003, in press.
4. Zhiyong Zhang, Yunyu Shi*, and Haiyan Liu*, Molecular dynamics simulations of peptides and proteins with amplified collective motions. Biophys. J., 2003,84,3583-3593.
5. J-Y Hasegawa*, M. Ishida, H. Nakatsuji*, Zhengyu Lu, Haiyan Liu, Weitao Yang, Energetics of the electron transfer from bacteriopheophytin to ubiquinone in the photosynthetic reaction center of Rhodopseudomonas Viridis: theoretical study, J. Phys. Chem. B 2003,107, 838-847.
6. Jiang Zhu, Yunyu Shi*, and Haiyan Liu*; Parametrization of a Generalized Born/Solvent-Accessible Surface Area Model and Applications to the Simulation of Protein Dynamics; J. Phys. Chem. B 2002, 106, 4844-4853.
7. Li Xie, Haiyan Liu*; The Treatment of Solvation by a Generalized Born Model and a Self-Consistent Charge-Density Functional Theory-Based Tight-Binding Method; J. Comput. Chem. 2002, 23,1404-1415.
8. Wei Gu, Jiang Zhu and Haiyan Liu*, DIFFERENT PROTONATION STATES OF THE BACILLUS CEREUS BINUCLEAR ZINC METALLO--LACTAMASE ACTIVE SITE STUDIED BY COMBINED QUANTUM MECHANICAL AND MOLECULAR MECHANICAL SIMULATIONS, J. Theore. Comput. Chem., 2002, 1, 69-80.
9. Yingkai Zhang, Haiyan Liu and Weitao Yang*; Ab initio QM/MM and free energy calculations of enzyme reactions, in Computational Methods for Macromolecules: Challenges,Methods, Ideas - Proceedings of the 3rd International workshop on Algorithms for Macromolecullar Modelling, New York, October 13-15, 2000. Eds. Schlick, T. and Gan, H.H. Lecture Notes in Computational Science and Engineering , Springer Verlag, 2002.
10. Zhengyu Lu, Haiyan Liu, Marcus Elstner, and Weitao Yang*, Parameterization of COSMO Solvent Model for Self-Consistent charge Density-Functional Based Tight-Binding Calculations；in REVIEWS OF MODERN QUANTUM CHEMISTRY A Celebration of the Contributions of Robert G Parr, K.D. Sen Ed, World Scientific, Singapore, 2002.
11. Haiyan Liu, Marcus Elstner, Efthimios Kaxiras, Thomas Frauenheim, Jan Hermans* and Weitao Yang*; Quantum Mechanics Simulation of Protein Dynamics on Long Time Scale; Proteins, 2001, 44，484-489.
12. Jiang Zhu, Hao Fan, Haiyan Liu & Yunyu Shi*; Structure-based ligand design for flexible proteins: Application of new F-DycoBlock; J.Comput.Aid.Mol.Des.;2001，15，979-996.
13. Jiang Zhu, Haibo Yu, Hao Fan, Haiyan Liu and Yunyu Shi*, Design of new selective inhibitors of cyclooxygenase-2 by dynamic assembly of molecular building blocks; J.Comput.Aid.Mol.Des. 2001，15，447-463.
14. Liu, Haiyan; Zhang, Yingkai; Yang Weitao*; How is the active site of enolase organized to catalyze two different reaction steps? J. Am. Chem. Soc., 2000, 6560.
15. Zhang, Yingkai, Liu, Haiyan; Yang, Weitao*; Free energy calculation on enzyme reactions with an efficient iterative procedure to determine mininmum energy paths on a combined abinitio QM/MM poteintial energy surface, J. Chem. Phys., 2000, 112, 3483-3492.
16. Liu, Haiyan*, Luo, Qiming; Duan, Zhihong; Shi, Yunyu; Structure-based Ligand Design by Dynamically Assembling Molecular BuildingBlocks at Active Site, Proteins, 1999, 36, 462-470.
17. Gou, Qingxiang*; Liu, Haiyan; Ruan, X.Q.; Zheng, X. Q.; Shi, Y. Y.; Liu, Y.C.; Experimental and theoretical studies on the inclusion complexation of beta-cyclodextrin with phenothiazine derivatives; J. Incl.Phenom. Macro.; 1999,35,487-496.
18.在J. Am.. Chem. Soc.、J. Mol. Biol.、J. Chem. Phys.等雜誌發表研究論文三十餘篇。
獲獎記錄
2000年入選中國科學院“引進國外傑出人才”項目。2001年獲“國家傑出青年基金”資助。
