許世宜 教授

專任教授
許世宜
Sheh-Yi Sheuoid
phone 02-2826-7233／lab: ext. 65675
mail sysheu@nycu.edu.tw
address 生物醫學大樓7樓708室
  • Aug. 2005-present 國立陽明交通大學 生命科學系暨基因體科學研究所 教授
  • Aug, 1996-Jul, 2005 國立陽明大學 生命科學系暨基因體科學研究所 副教授
1990 美國密西根州立大學 化學 博士
結構生物學，結構生物資訊學，人工智慧與電腦輔助藥物設計，生物物理，計算化學，奈米生醫仿生材料能源開發
  • 化學原理（一）、(二）/化學原理實驗
  • 結構生物學（一）、(二）
  • 分子模擬與藥物設計的概論與應用
  • 生物物理化學
  • 生命科學技術
  • 專題討論
syssys

 
  1. 本實驗室的研究主要利用電腦模擬計算與計算化學從結構的觀點探討生物分子的結構與功能及其應用。研究方向包含: 人工智慧與電腦輔助藥物設計與開發；神經退化性疾病致病機轉；訊息傳遞；電子轉移；酵素反應機轉；生物奈米材料與 量子電腦電子元件等尖端科技的開發與應用；仿生材料在奈米電池與海水淡化應用。
  2. 生物分子如DNA、RNA與蛋白質具有的特殊結構與功能應用在奈米生物電子元件材料開發。利用分子間的氫鍵性質設 計量子邏輯元件，組成分子電晶體，建構量子電腦。
  3. 仿生材料開發與應用主要包含: (1)量子電腦，3C產品的奈米電池的開發。我們仿效特殊生物的細胞結構，設計具有高電壓的奈米電池及電容器。(2)仿生材料在海水淡化應用。開發新穎的奈米生物材料來改進水的純化技術、降低成本及提升效能，並且開發智慧仿生材料，應用在生醫材料透析膜的原料開發、微流體技術與噴墨列印技術改良。
  4. 人類端粒DNA鳥嘌呤四股結構是抗癌藥物作用的最佳標的。我們探討人類端粒DNA四股結構多樣性的構型轉換機制與藥物的結合-解離和分子辯識的作用機轉，這些研究有助於抗腫瘤新藥設計開發。
  5. 在生物體內，蛋白質調控生物訊息或能量傳遞扮演非常重要的角色。我們探討蛋白質單元體間的訊息傳遞機制，這些研究成果將幫助瞭解蛋白質功能失調之致病機轉，為此類功能失調的蛋白質設計突變位置的胺基酸或為蛋白質工程技術找到新的目標，以期能達到調控生物的正常能，同時可以應用在分子機器的設計。
  • 高銓澤 生物醫學資訊研究所 博士論文(2018):生物分子之自由能計算的改進方法：胰島素六聚體構型變化之計算 (An Improvement of the Biomolecular Free Energy Calculation: Conformational Change in Insulin Hexamer) 財團法人全球展望醫學基金會研究生優秀論文銀質獎。 獲獎論文: Structure insights into the catalytic active site and activity of human Nit2/ω-Amidase: kinetic assay and molecular dynamics simulation, J. Biol. Chem. 2012 Jul 27; 287(31):25715-26.
  • 吳美儒 生命科學系暨基因體科學研究所 碩士論文(2013): 探討hNit2催化反應機制: 結合量子和分子力學之模擬 (Catalytic Reaction Mechanism of hNit2 Enzyme by QM/MM Dynamics Simulations)第18屆生物物理研討會研究生優秀論文銀牌獎。
  • 劉育丞 生物醫學資訊研究所 碩士論文(2017): 研究人類端粒DNA鳥嘌呤四股結構構型變化的機制 (To study the mechanism of conformational changes of the human telomeric DNA G-quadruplex)尹珣若先生品學及論文優良獎。
  • 劉育丞 生物醫學資訊研究所 110年度學生優良研究成果獎勵 獲獎論文: Insights into the free energy landscape and salt-controlled mechanism of the conformational conversions between human telomeric G-quadruplex structures. Yu-Cheng Liu, Dah-Yen Yang, Sheh-Yi Sheu. International Journal of Biological Macromolecules 191, 230–242 (2021)。
期刊論文
  1. Molecular Dynamics Simulations of High-Performance, Dissipationless Desalination across Self-Assembled Amyloid Beta Nanotubes. Yu-Cheng Liu, Dah-Yen Yang, Jin-Pei Deng, and Sheh-Yi Sheu*. Small, 2205420. DOI: 10.1002/smll.202205420 (2023).
  2. Chemical interference with DSIF complex formation lowers synthesis of mutant huntingtin gene products and curtails mutant phenotypes. Ning Deng, Yun-Yun Wu, Yanan Feng, Wen-Chieh Hsieh, Jen-Shin Song, Yu-Shiuan Lin, Ya-Hsien Tseng, Wan-Jhu Liao, Yi-Fan Chu, Yu-Cheng Liu, En-Cheng Chang, Chia-Rung Liu, Sheh-Yi Sheu, Ming-Tsan Su, Hung-Chih Kuo, Stanley N. Cohen, Tzu-Hao Cheng.* Proceedings of the National Academy of Sciences, 119(32)-e2204779119 (2022).
  3. Detecting glycated hemoglobin in human blood samples using a transistor-based nanoelectronic aptasensor. Ankur Anand, Chih-Yang Chen, Tse-Hao Chen, Yu-Cheng Liu, Sheh-Yi Sheu, Yit-Tsong Chen*. Nano Today 41, 101294 (2021).
  4. Insights into the free energy landscape and salt-controlled mechanism of the conformational conversions between human telomeric G-quadruplex structures. Yu-Cheng Liu, Dah-Yen Yang, Sheh-Yi Sheu*. International Journal of Biological Macromolecules 191, 230–242 (2021).
  5. Quantum Logic Gates Based on DNAtronics, RNAtronics, and Proteintronics. Sheh-Yi Sheu,* Hua-Yi Hsu, and Dah-Yen Yang.* Advanced Intelligent Systems, 2000273 (2021).(Cover page)
  6. Surface topography effects of globular biomolecules on hydration water. Sheh-Yi Sheu,* Yu-Cheng Liu, Jia-Kai Zhou, E. W. Schlag and Dah-Yen Yang.* Journal of Physical Chemistry B, 123, 6917-6932 (2019).
  7. Relaxation high-temperature ratchets. I.V. Shapochkina,* V.M. Rozenbaum, Sheh-Yi Sheu,* D.-Y. Yang,* S.H. Lin, L.I. Trakhtenberg. Physica A, 514, 71-78(2019).
  8. 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. Hsiao-Yun Tai, Jia-Kai Zhou, Chang-Ching Yeh, Ming F. Tam, Sheh-Yi Sheu* and Horng-Der Shen.* Journal of Microbiology, Immunology and Infection, 51, 478-484 (2018).
  9. Mechanically controlled electron transfer in a single-polypeptide transistor. Sheh-Yi Sheu,* and Dah-Yen Yang,* Scientific Reports, 6:39792, DOI: 10.1038/srep39792 (2017).
  10. Interfacial water effect on cooperativity and signal communication in Scapharca dimeric hemoglobin. Sheh-Yi Sheu,* Yu-Cheng Liu and Dah-Yen Yang,* Physical Chemistry Chemical Physics, 19, 7380-7389 (2017).
  11. Directed motion from particle size oscillations inside an asymmetric channel. Yurii A. Makhnovskii,* Sheh-Yi Sheu,* Dah-Yen Yang,* and Sheng Hsien Lin, Journal of Chemical Physics., 146, 154103 (2017).
  12. Chemical inhibition of human thymidylate kinase and structural insights into the phosphate binding loop and ligand-induced degradation. 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,* Journal of Medicinal Chemistry, 59, 9906−9918 (2016).
  13. 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).
  14. 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).
  15. 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)
  16. 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).
  17. 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).
  18. 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).
  19. 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).
  20. 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).
  21. 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).
  22. 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).
  23. 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).
  24. 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, Physical Review. E 84, 021104 (2011).
  25. 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).
  26. Determination of Protein Surface Hydration Shell Free Energy of Water motion Theoretical Study and Molecular Dynamics Simulation. Sheh-Yi Sheu* and Dah-Yen Yang*, Journal of Physical Chemistry B, 144, 16558–16566 (2010).
  27. 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*, Chemical physics Letters, 500, 318-322(2010).
  28. Hydrogen Bonds in Membrane Proteins. Sheh-Yi Sheu*, E. W. Schlag*, H. L. Selzle and Dah-Yen Yang*, Journal of Physical Chemistry B, 113, 5318-5326(2009).
  29. 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).
  30. 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).
  31. Molecular Dynamics of Hydrogen Bonds in Protein-D2O : The Solvent Isotope Effect.Sheh-Yi Sheu*, E. Schlag*, H, Selzle, and Dah-Yen Yang*, Journal of Physical Chemistry A, 112, 797-802(2008).
  32. 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*, Journal of Physical Chemistry A, 111, 9224-9232(2007).
  33. 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)
  34. Interaction of adjacent amino acids. E.W. Schlag, Sheh-Yi Sheu, H.L. Selzle, and Dah-Yen Yang*, Journal of Chinese Chemical Society, 53, 265-270(2006).
  35. Selectivity principle of the ligand escape process from a two-gate tunnel in myoglobin: molecular dynamics simulation. Sheh-Yi Sheu*, Journal of Chemical Physics, 124, 154711 (2006).
  36. Molecular dynamics simulation of entropy driven ligand escape process in heme pocket. Sheh-Yi Sheu*, Journal of Chemical Physics, 122, 104905(2005).
  37. Energetics of hydrogen bonds in peptides. Sheh-Yi Sheu*, Dah-Yen Yang, H. L. Selzle, and E. W. Schlag, Proceedings of the National Academy of Sciences, USA, 100, 12683 (2003).
  38. 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).
  39. Efficiency of Charge Transport in a Polypeptide chain: The hydrated system. Sheh-Yi Sheu*, Dah-Yen Yang, H. L. Selzle, and E. W. Schlag, Journal of Physical Chemistry A, 106, 9390-9396(2002).
  40. Protein charge transport in gas phase. Sheh-Yi Sheu* and E. W. Schlag, International Journal of mass spectroscopy, 219, 73-77 (2002), (invited paper).
  41. 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).
  42. Efficiency of Charge Transport in a Polypeptide chain: The Isolated system. Sheh-Yi Sheu, E. W. Schlag, Dah-Yen Yang and H. L. Selzle, Journal of Physical Chemistry A, 105, 6353 (2001).
  43. Entropy driven unidirectional motion of Brownian particle inside a three-dimensional tube. Sheh-Yi Sheu and Dah-Yen Yang, Journal of Chemical Physics, 114, 3325(2001).
  44. 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, Proceedings of the National Academy of Sciences, USA, 97, 9849 (2000).
  45. Theory of charge transport in polypeptides. E.W. Schlag, Sheh-Yi Sheu, Dah-Yen Yang, H.L. Selzle and S.H. Lin, Journal of Physical Chemistry B, 104, 7790(2000). (本篇當期雜誌封面)
  46. 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, Proceedings of the National Academy of Sciences, USA, 97, 1068(2000).
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