Quantum Logic Gates Based on DNAtronics, RNAtronics, and Proteintronics. Sheh-Yi Sheu,* Hua-Yi Hsu, and Dah-Yen Yang.* Advanced Intelligent Systems, 2000273 (2021).
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).
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).
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).
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).
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).
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).
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, Physical Review. 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*, Journal of Physical Chemistry 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*, Chemical physics Letters, 500, 318-322(2010).
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).
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*, Journal of Physical Chemistry 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*, Journal of Physical Chemistry 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*, Journal of Chinese Chemical Society, 53, 265-270(2006).
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).
Molecular dynamics simulation of entropy driven ligand escape process in heme pocket. Sheh-Yi Sheu*, Journal of Chemical Physics, 122, 104905(2005).
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).
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, Journal of Physical Chemistry 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, Journal of Physical Chemistry A, 105, 6353 (2001).
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).
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).
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)
Charge conductivity in peptides: Dynamic simulations of a bifunctional model supporting experimental data. E.W. Schlag, Sheh-Yi SheuSheh-Yi Sheu, Dah-Yen Yang, H.L. Selzle and S.H. Lin, Proceedings of the National Academy of Sciences, USA, 97, 1068(2000).