教師簡介

  • 專任教授
  • 許世宜
  • Sheh-Yi Sheu
  • 02-2826-7000 ext. 7233／lab: ext. 5675
  • sysheu@ym.edu.tw
  • 傳統醫學大樓乙棟7樓R708
  • 專業領域
  • • 藥物發展與人工智慧演算
    • 生醫材料、生物奈米材料與半導體開發應用
    • 抗癌藥物及酵素活性設計與開發
    • 藥物釋放過程及生物膜之離子孔道調控研究
    • 生物分子內電荷轉移機制、生物訊息傳遞、能量傳遞、異位協同效應探討
    • 阿茲海默症神經退化性疾病機制探討
    • 生物巨分子的電腦模擬與理論研究
    • 結構生物物理性質之研究
    • 生物分子結構的預測及結構與功能探討
    • 資料庫的分析、註解與開發
  • 研究方向
    • 生物物理/藥物設計/催化反應計算
    • 計算化學/計算生物物理
    • 結構生物/生物資訊
    • 人工智慧程式應用在藥物開發
  • 研究介紹

  • 結構生物物理

    • 抗癌藥物及抗病毒藥物等設計與開發
    • 蛋白質分子與蛋白質分子之交互作用力的探討
    • 奈米材料與生物分子之作用力的探討
    • 多重藥物釋放過程及生物膜之離子孔道問題
    • 結構生物物理性質之研究

      • 結構生物資訊

    • 生物分子結構的預測及蛋白質結構與功能探討等
    • 資料庫的分析、註解與開發
    • 演算法的發展與開發
  • 實驗室主要技術
  • 數值分析、電腦模擬計算、演算法的發展、資料庫處理、程式設計等與電腦相關技術
  • 值得特別推薦的儀器設備及其使用目的
  • 計算資源硬體有工作站具高解析度生物分子圖形介面設備、PC叢集等;軟體有Insight II、CHARMM與Modeling Pipeline system等分子模擬程式及分子結構預測程式系統。生物巨分子的電腦模擬：包括生物資訊系統介紹及電腦輔助分子設計及模擬之原理與應用。學習如何檢索相關結構生物學資料 庫及分子模擬軟體之操作。
  • 教授科目
  • 化學原理（一）
    化學原理（二）
    化學原理實驗
    結構生物學（一、二）
    分子模擬的概論與應用
    生物物理化學
    生命科學技術
    專題討論（碩）
  • 經歷
  • Aug. 2005-present
    國立陽明大學
    生命科學系暨基因體科學研究所
    教授
  • 學歷
  • 1990
    美國密西根州立大學
    化學　博士

代表著作

    期刊論文
  • I.V. Shapochkina,* V.M. Rozenbaum, S.-Y. Sheu,* D.-Y. Yang,* S.H. Lin, L.I. Trakhtenberg, Relaxation high-temperature ratchets, Physica A, S0378-4371(18)31168-3(2018).
  • Hsiao-Yun Tai, Jia-Kai Zhou, Chang-Ching Yeh, Ming F. Tam, Sheh-Yi Sheu* and Horng-Der Shen,* The different modes of binding of the dust mite allergens, Der f 7 and Der p 7, on a monoclonal antibody WH9 contribute to the differential reactivity, Journal of Microbiology, Immunology and Infection, 51, 478-484(2018).
  • Sheh-Yi Sheu,* and Dah-Yen Yang,* Mechanically controlled electron transfer in a single-polypeptide transistor, Scientific Reports, 6:39792, DOI: 10.1038/srep39792 (2017).
  • Sheh-Yi Sheu,* Yu-Cheng Liu and Dah-Yen Yang,* Interfacial water effect on cooperativity and signal communication in Scapharca dimeric hemoglobin, Physical Chemistry Chemical Physics, 19, 7380-7389 (2017).
  • Yurii A. Makhnovskii,* Sheh-Yi Sheu,* Dah-Yen Yang,* and Sheng Hsien Lin, Directed motion from particle size oscillations inside an asymmetric channel, Journal of Chemical Physics., 146, 154103(2017).
  • Yi-Hsuan Chen, Hua-Yi Hsu, Ming-Tyng Yeh, Chen-Cheng Chen, Chang-Yu Huang, Ying-Hsuan Chung, Zee-Fen Chang, Wei-Chen Kuo, Nei-Li Chan, Jui-Hsia Weng, Bon-chu Chung, Yu-Ju Chen, Cheng-Bang Jian, Ching-Chieh Shen, Hwan-Ching Tai, Sheh-Yi Sheu,* and Jim-Min Fang,* Chemical inhibition of human thymidylate kinase and structural insights into the phosphate binding loop and ligand-induced degradation, Journal of Medicinal Chemistry, 59, 9906−9918(2016).
  • The molecular mechanism of ligand unbinding from the human telomeric G-quadruplex by steered molecular dynamics and umbrella sampling simulations. Jia-Kai Zhou, Dah-Yen Yang* and Sheh-Yi Sheu,* Physical Chemistry Chemical Physics, 17, 12857-12869 (2015).
  • A model for ultra-fast charge transport in membrane proteins. Sheh-Yi Sheu,* Edward W. Schlag and Dah-Yen Yang,* Physical Chemistry Chemical Physics, 17, 23088-23094 (2015).
  • Diffusion of a massive particle in a periodic potential: application to adiabatic ratchets. Viktor M. Rozenbaum,* Yurii A. Makhnovskii, Irina V. Shapochkina, Sheh-Yi Sheu,* Dah-Yen Yang,* and Sheng Hsien Lin, Physical Review E. 92, 062132 (2015)
  • Relative stability of G-quadruplex structures: interactions between the human Bcl2 promoter region and derivatives of carbazole and diphenylamine. Sheh-Yi Sheu,* Chao-Hsien Huang, Jia-Kai Zhou and Dah-Yen Yang,* Biopolymers, 101, 1038-1050 (2014).
  • Fluctuation-induced transport of two coupled particles: effect of the interparticle interaction. Y. A. Makhnovskii,* V. M. Rozenbaum, Sheh-Yi Sheu,* Dah-Yen Yang,* L. I. Trakhtenberg, and and Sheng Hsien Lin, Journal of Chemical Physics, 140, 214108 (2014).
  • Gap opening and tuning of the electronic instability in Au intercalated bilayer graphene. Sheh-Yi Sheu and Dah-Yen Yang,* Carbon, 71, 76-86 (2014).
  • Inertial effects in adiabatically driven flashing ratchets. V. M. Rozenbaum,* Y. A. Makhnovskii, I. V. Shapochkina, Sheh-Yi Sheu,* Dah-Yen Yang,* and Sheng Hsien Lin, Physical Review E, 89, 052131 (2014).
  • Epitope Mapping and in silico characterization of interactions between Der p 7 allergen and MoAb WH9. Hsiao-Yun Tai, Jia-Kai Zhou, Hong Chou, Ming F. Tam, Yu-Sen Chen, Sheh-Yi Sheu* and Horng-Der Shen,* PLOS ONE, 8(8), e71269 (2013).
  • Adiabatically driven Brownian pumps. Viktor M. Rozenbaum,* Yurii A. Makhnovskii, Irina V. Shapochkina, Sheh-Yi Sheu,* Dah-Yen Yang* and Sheng-Hsien Lin, Physical Review E, 88, 012104 (2013).
  • Structural Insights into the Catalytic Active Site and Activity of Human Nit2/ω-Amidase: Kinetic Assay and Molecular Dynamics Simulation. Chin-Hsiang Chien, Quan-Ze Gao, Arthur J. L. Cooper, Jyun-Hong Lyu and Sheh-Yi Sheu*, Journal of Biological Chemistry, 287, 25715-25726(2012).
  • Tumor cells require thymidylate kinase to prevent dUTP incorporation during DNA repair. Chun-Mei Hu, Ming-Tyng Yeh, Chih-Wei Chen, Ning Tsao, Quan-Ze Gao, Chia-Yun Chang, Ming-Hsiang Lee, Jim-Min Fang, Sheh-Yi Sheu, Chow-Jaw Lin, Mei-Chun Tseng, Yu-Ju Chen, Zee-Fen Chang*, Cancer Cell, 22, 36-50 (2012).
  • Two-state Brownian motor driven by synchronously fluctuating unbiased forces.
    V. M. Rozenbaum*, Yu. A. Makhnovskii, S.-Y. Sheu, D.-Y. Yang* and S. H. Lin, Phys. Rev. E 84, 021104 (2011).
  • Homology modeling and monoclonal antibody binding of the Der f 7 dust mite allergen. Horng-Der Shen, Ming F Tam, Chao-Hsien Huang, Hong Chou, Hsiao-Yun Tai, Yu-Sen Chen, Sheh-Yi Sheu* and Wayne R Thomas*, Immunology and Cell Biology 89, 225-230 (2011).
  • Determination of Protein Surface Hydration Shell Free Energy of Water motion Theoretical Study and Molecular Dynamics Simulation. Sheh-Yi Sheu* and Dah-Yen Yang*, J. Chem. Phys., B 144, 16558–16566 (2010).
  • Fis-Protein Induces Rod-Like DNA Bending. Chi-Cheng Fu, Ching-Fong Lin, Quan-Ze Gao, Wei-Zen Yang, Tsong-Shin Lim, Li-Ling Yang, Chi-Fu Yen, Wei-Hau Chang, Hanna S. Yuan, Sheh-Yi Sheu*, Dah-Yen Yang*, and Wunshain Fann*, Chem. Phys. Lett., 500, 318-322 (2010).
  • Hydrogen Bonds in Membrane Proteins. Sheh-Yi Sheu*, E. W. Schlag*, H. L. Selzle and Dah-Yen Yang*, J. Phys. Chem. B, 113, 5318-5326(2009).
  • Preferred orientation of albumin adsorption on a hydrophilic surface from molecular simulation. Hao-Jen Hsu, S.-Y. Sheu and R. Y. Tsay, Colloids and Surfaces B: Biointerfaces, 65, 183-191(2008).
  • The effect of entropy on protein hydrogen bonds. Sheh-Yi Sheu, H. L. Selzle, *E. W. Schlag, and Dah-Yen Yang, Chemical Physics Letters, 462, 1-5(2008).
  • Molecular Dynamics of Hydrogen Bonds in Protein-D2O : The Solvent Isotope Effect. Sheh-Yi Sheu*, E. Schlag*, H, Selzle, and Dah-Yen Yang*, J. Phys. Chem. A. 112, 797-802(2008).
  • Molecular dynamics simulation of the interaction of a carbazole derivative with human telomere: quadruplex stabilizer and telomerase inhibitor. Dah-Yen Yang, Ta-Chau Chang, and Sheh-Yi Sheu*, J. Phys. Chem. A, 111, 9224-9232(2007).
  • Distal Charge Transport in peptides. E. W. Schlag, Sheh-Yi Sheu, Dah-Yen Yang, H. L. Selzle, and S. H. Lin, Angewandte Chemie, 46, 3196(2007). (review)
  • Interaction of adjacent amino acids. E.W. Schlag, Sheh-Yi Sheu, H.L. Selzle, and Dah-Yen Yang*, J. Chinese Chem. Soc., 53, 265-270(2006).
  • Selectivity principle of the ligand escape process from a two-gate tunnel in myoglobin: molecular dynamics simulation. Sheh-Yi Sheu*, J. Chem. Phys. 124, 154711(2006).
  • Molecular dynamics simulation of entropy driven ligand escape process in heme pocket. Sheh-Yi Sheu*, J. Chem. Phys., 122, 104905(2005).
  • Energetics of hydrogen bonds in peptides. Sheh-Yi Sheu*, Dah-Yen Yang, H. L. Selzle, and E. W. Schlag, Proc. Natl. Acad. Sci. USA, 100, 12683(2003).
  • Cloning, expression, and deletion analysis of large nanH of Clostridium perfringens ATCC 10543. Sheh-Yi Sheu, Huen-juin Tseng, Shu-ping Huang, Chin-hsiang Chien, Enzyme and Microbial Technology 31, 794-803(2002).
  • Efficiency of Charge Transport in a Polypeptide chain: The hydrated system. Sheh-Yi Sheu*, Dah-Yen Yang, H. L. Selzle, and E. W. Schlag, J. Phys. Chem. A, 106, 9390-9396(2002).
  • Protein charge transport in gas phase. Sheh-Yi Sheu* and E. W. Schlag, International Journal of mass spectroscopy, 219, 73-77 (2002), (invited paper).
  • Charge transport in a polypeptide chain. Sheh-Yi Sheu*, Dah-Yen Yang, H.L. Selzle and E.W. Schlag, The European Physical Journal D, 20, 557-563(2002), (invited paper).
  • Efficiency of Charge Transport in a Polypeptide chain: The Isolated system. Sheh-Yi Sheu, E. W. Schlag, Dah-Yen Yang and H. L. Selzle, J. Phys. Chem. A, 105, 6353(2001).
  • Entropy driven unidirectional motion of Brownian particle inside a three-dimensional tube. Sheh-Yi Sheu and Dah-Yen Yang, J. Chem. Phys. 114, 3325(2001).
  • Dynamical principles in biological processes: a model of charge migration in proteins and DNA. E.W. Schlag, Dah-Yen Yang, Sheh-Yi Sheu, H.L. Selzle, S.H. Lin and P.M. Rentzepis,, Proc. Natl. Acad. Sci. USA, 97, 9849(2000).
  • Theory of charge transport in polypeptides. E.W. Schlag, Sheh-Yi Sheu, Dah-Yen Yang, H.L. Selzle and S.H. Lin, J. Phys. Chem. B 104, 7790(2000). (本篇被選作當期雜誌封面)
  • Charge conductivity in peptides: Dynamic simulations of a bifunctional model supporting experimental data. E.W. Schlag, Sheh-Yi Sheu, Dah-Yen Yang, H.L. Selzle and S.H. Lin, Proc. Natl. Acad. Sci. USA, 97, 1068(2000).

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