現    職：

專長領域：

　

電子郵件：

教授

　

計算生物物理化學、藥物設計

Computational biophysical chemistry,

Computer - aided drug design

　

sun@ntnu.edu.tw

個人實驗室網頁 Group Homepage

　

學經歷：　　　　　　　　　　　　

國立台灣大學化學系(學士)1987

美國賓夕法尼亞大學化學研究所(博士)1994

美國加州大學舊金山分校藥理化學系

(博士後研究員)1994~1996

國立台灣師範大學化學系副教授1996.2~2000

國立台灣師範大學化學系教授2000迄今

　

研究興趣：

  1. 蛋白質模擬：胜肽鍵折疊，蛋白質聚集。
  2. 電腦輔助設計藥物設計：分子動力學模擬、Docking、QSAR方法。
  3. 癌症藥物、神經退化性疾病藥物研發。

　

Research Interests：

  1. Protein simulation : peptide folding, protein aggregation.
  2. Computer - aided drug design : molecular dynamics simulation, Docking, QSAR methods.
  3. Diseases targeted : cancer, neurodegenerative diseases.

　

代表著作：

A. Publications: 期刊論文

Bio-molecular Modeling

·         Yi-Hung Tan, Kung-Hsueh Lee, Topp Lin , Ying-Chieh Sun , Hsueh-Fen Juan, Yi-Ching Wang , ‘Molecular Mechanisms of Cytotoxicity and Proteomics Approach for Potential Anti-Cancer Drug OSU 03013 in Lung Cancer: Involvement of ER response and the PKA/β-catenin Pathway’, Clinical Cancer Research, 14, 1823-1830 (2008).

·         C.C. Chen, Chung-Cheng Wei , Ying-chieh Sun and Chi-Ming Chen , ''Packing of Transmembrane Helices in Bacteriorhodopsin Folding: Structure and Thermodynamics’, Journal of Structural Biology, 162, 237-247 (2008)

·         Wei-Zhou Wang, Topp Lin , and Ying-Chieh Sun , ‘Examination of the Folding of a Short Alanine-Based Helical Peptide with Salt Bridges Using Molecular Dynamics Simulation’ J. Phys. Chem. B, 111, 3508-3514, (2007).

·         Yi-Len Tsai, Hwung-Wen Chen , Topp Lin , WeiZhou Wang , and Ying-Chieh Sun ‘Molecular Dynamics Simulation of Folding of a Short Helical Toxin Peptide’ J. Theore. Comput. Chem. 6, 213-221 (2007).

·         Wen-Hung Wang, and Ying-Chieh Sun, ‘A 3D-QSAR study of Celebrex-based PDK1 Inhibitors Using CoMFA Method’ (in preparation)

·         Chung-Cheng Wei, Ming-Hsun Ho, Wen-Hung Wang, and Ying-Chieh Sun ‘Molecular Dynamics Simulation of Folding of a Short Helical Peptide with Many Charged Residues’, J. Phys. Chem. B, 109, 19980-19986, (2005). SCI.

·         Ying-Chieh Sun, Shu-Fen Yang, I-Lun Hwang,and Tzu-Hsien Wu, 1999 `A 500 ps Molecular dynamics simulation trajectory of cardiotoxin II from Taiwan cobra venom in solution: correlation with NMR and X-ray crystallography data‘  J. Comput. Chem., 20, 546-562. SCI.

·         Ying-Chieh Sun, David L. Veenstra, and Peter A.Kollman,1996”Free energy calculations of the mutation of the ILE96->ALA in barnase: contributions to the difference in stability`` Protein  Engineering,9.273-281. SCI.

　

Examination of reactions using QC methods

·         Chai Ling Fan, Wei-Der Lee, Nai-Wei Teng, Ying-Chieh Sun and Kwunmin Chen, ' Asymmetric Epoxidation of Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide Complex: Reversal of Stereoselectivity ' J. Org. Chem. 68, 9816, (2003). SCI.

·         Ying-Chieh Sun, I-Ting Wang, Thanh Lam Nguyen, Hsiu-Feng Lu, Xueming Yang, and Alexander M. Mebel ‘A Combined Quantum Chemistry and RRKM Calculation Predicts the O(1D) + C2H6 Reaction Can Produce Water Molecule in Collision-free Crossed Molecular Beam Environment", J. Phys. Chem. A 107, 6986-6994 (2003). SCI.

·         Pei-Fang Wu, I-Ting Wang, Hsiu-Feng Lu, Ching-Fa Yao, and Ying-Chieh Sun, ‘A Theoretical Study of Face Selectivity in the Michael Addition of a Grignard Reagent with 5-substituted-2-dicyanomethyleneadamantanes’, J. Chin. Chem. Soc. (special issue) 50, 545 (2003). SCI.

·         Hsiu-Feng Lu and Ying-Chieh Sun, ‘Calculated Energies of Adsorption of Non-hydrocarbon Species on Diamond H/C(111) Surface and the Abstraction Energies of these Species Abstracted by Hydrogen Atoms Using ab initio Calculation’ Diamond and Related Materials, 11, 1560 (2002) . SCI.

·         Man-kit Leung, Ashis B. Mandal, Chih-Chieh Wang, Gene-Hsiang Lee, Shie-Ming Peng, Hsing-Ling Cheng, Guor-Rong Her, Ito Chao,, Hsiu-feng Lu, Ying-Chieh Sun, Mei-Ying Shiao, and Pi-Tai Chou, ‘Self-complementarity of oligo-a-aminopyridines: a new class of hydrogen-bonded ladders’, J. Am. Chem. Soc., 124, 4287 (2002), . SCI.

·         Hsiu-Feng Lu and Ying-Chieh Sun, ‘Calculation of Hydrogen Abstraction Reaction on Hydrogen-covered H/C(111) Diamond Surface Abstracted by Non-Hydrocarbon Species’, Surf. Sci. 494 L787-L792 (2001). SCI.

　

Vibrational energy relaxation MD simulation, path integral MC simulation, first-principle quantum-mechanical MD simulation

·         Jeng-Han Wang, M. C. Lin, Ying-Chieh Sun, ' Reactions of Hydrazoic Acid on TiO2 Nanoparticles: An Experimental and Computational Study'. J. Phys.  Chem. B, 109, 5133-5142 (2005).

·         Ming-Hsun Ho and Ying-Chieh Sun, ‘Molecular Dynamics Simulation of Hydrogen-covered Si(100):H-2x1 surface: Calculation of Vibrational Energy Relaxation Rates of Hydrogen Stretching Modes’, Surf. Sci., 516, L540-L546 (2002). SCI.

·         Sho-Ching Hong, Ming-Shun Ho, Hsiu-Feng Lu, and Ying-Chieh Sun, 2000, `Calculated lifetime of the first (v=1) Ge-H stretching excited state on hydrogen-covered H/Ge(111) germanium surface’, J. Chin. Chem. Soc., 47, 881-886. SCI.

·         Ying-Chieh Sun, Hsiu-Feng Lu, and Ming-Shun Ho, 2000,`Molecular dynamics simulation of hydrogen isotope-terminated silicon (111) and (110) surfaces: calculation of vibrational energy relaxation rates of hydrogen isotope stretching modes’, Chem. Phys. Lett., 318, 7-14. SCI.

·         Hsiu-Feng Lu, Ming-Shun Ho, Sho-Ching Hong, Ai-Hsin Liu, Pei-Fang Wu, and Ying-Chieh Sun, 1998 ‘Determination of vibrational energy relaxation rates of C-H,D,T stretching modes on hydrogen, deuterium, and tritium-terminated H,D,T/C(111) and H,D,T/C(110) surfaces using molecular dynamics simulation: thermal effect’ J. Chem. Phys., 109,6898-6904. SCI.

·         Ying-Chieh Sun and Jiunn-Ming Chen, 1997 ‘ Calculations of vibrational energy relaxation rates of C-H,D,T stretching modes on hydrogen, deuterium, and tritium-terminated H,D,T/C(111)lxl surface’ J. Phys. Chem.,101, 7082-7086. SCI.

·         Ying-Chieh Sun, Huadong Gai and Gregory A.Voth,1995”Vibrational energy relaxation dynamics of Si-H stretching modes on stepped H/Si(lll)lxl surface”Chem.Phys.,200,357-368, SCI.

·         Ying-Chieh Sun, Huadong Gai and Gregory A.Voth,1994”Vibrational energy relaxation dynamics of C-H stretching modes on the hydrogen-terminated H/C(111)lxl surface”J. Chem. Phys.,100,3247-3251, SCI.

·         Ying-Chieh Sun and Gregory A. Voth, 1993 ”Path integral calculation of hydrogen diffusion rates on metal surfaces”J. Chem. Phys., 98, 7451-7458, SCI.

　

B. Conference papers/研討會論文

Jeng-Chiy Yian, Yu-Ming Lee, Tzu-Hsien Wu, and Ying-chieh Sun*, `Thermal molecular dynamics simulations of cardiotoxin III from Taiwan cobra venom in solution’, an invited article contributed to the Third Tohwa University International Conference on Statistical Physics, Am. Inst. Phys. Conference Proceedings, invited speaker, Tohwa University, Japan, Nov. 1999.

　

C. Others

吳姿嫻、李育銘、程麗梅、孫英傑*, '蛋白質之分子模擬("Protein simulation")', 物理雙月刊(Physics Bimonthly)（邀稿(invited article)，Taipei, Taiwan, (廿二卷三期）2000年6月, June (2000).