近期论文
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“Theoretical Study of the Spectral Differences of the Fenna–Matthews–Olson Protein from Different Species and Their Mutants”, Z. Huai, Z. Tong, Y. Mei, and Y. Mo*, J. Phys. Chem. B 125, 8313-8324 (2021).
“Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 4. Adaptive QM/MM”, J.-N. Wang, W. Liu, P. Li, Y. Mo*, W. Hu, J. Zheng, X. Pan, Y. Shao, and Y. Mei*; J. Chem. Theory Comput., 17, 1318–1325 (2021).
“Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 3. Gaussian Smoothing on Density-of-States”, W. Hu, P. Li*, J.-N. Wang, Y. Xue, Yan Mo*, J. Zheng, X. Pan, Y. Shao, and Y. Mei*, J. Chem. Theory Comput., 16, 6814–6822 (2020).
“Reproducing the low-temperature excitation energy transfer dynamics of phycoerythrin 545 light-harvesting complex with a structure-based model Hamiltonian”,Z. Tong, Z. Huai, Y. Mei, and Y. Mo*, J. Chem. Phys. 152, 135101 (2020).
“Influence of the Protein Environment on the Electronic Excitation of Chromophores in the Phycoerythrin 545 Light-Harvesting Complex: A Combined MD-QM/MM Method with Polarized Protein-Specific Charge Scheme”, Z. Tong, Z. Huai, Y. Mei, Y. Mo*, J. Phys. Chem. B 123, 2040-2049 (2019).
“Hybrid QM/MM study of FMO complex with polarized protein-specific charge, X. Jia, Y. Mei, J. Z. H. Zhang,Y. Mo*, Sci Rep5, 17096 (2015).
“Time-dependent density functional theory for quantum transport”, X. Zheng, G.H. Chen, Y. Mo, S. K. Koo, H. Tian, C. Y. Yam and Y.J. Yan, J. Chem. Phys. 133, 114101 (2010).
“Transient electronic dynamics of noninteracting open systems beyond linear response”, Y. Mo, X. Zheng, G. H. Chen, and Y. J. Yan, J. Phys.: Condens. Matter 21, 355301 (2009).
“Dynamic admittance of carbon nanotue-based molecular electronic devices and their equivalent electric circuit”, C. Y. Yam, Y. Mo, F. Wang X. B. Li, G. H. Chen, X. Zheng, Y. Matsuda, J. Tahir-Kheli, and W. A. Goddard III, Nanotechnology 19, 495203 (2008).
“Time-dependent density-functional theory of open systems”, X. Zheng, F. Wang, C. Y. Yam, Y. Mo, and G. H. Chen, Phys. Rev. B75, 195127 (2007).
“Electron transfer theory revisited: Quantum solvation effect”, P. Han, R. X. Xu, P. Cui, Y. Mo, G. Z. He and Y. J. Yan, J. Theo & Comp. Chem, 5 (3): 685-92 (2006).
“Kinetics and Thermodynamics of Electron Transfer in Debye Solvents: An Analytical and Nonperturbative Reduced Density Matrix Theory”, P. Han, R. X. Xu, B. Q. Li, J. Xu, P. Cui, Y. Mo, and Y. J. Yan, J. Phys. Chem. B110, 11438-43 (2006).
“Correlation and Response Functions with non-Markovian Dissipation: A Reduced Liouville-Space Theory”, Y. Mo, R. X. Xu, P. Cui, and Y. J. Yan, J. Chem. Phys. 122, 084115(2005).
“Exact Quantum Master Equation via the Calculus on Path Integrals”, R. X. Xu, P. Cui, X. Q. Li, Y. Mo, and Y. J. Yan, J. Chem. Phys.122, 041103 (Comm.) (2005).
“Atomic Force Microscopic and Theoretical Studies of Poly-Ubiquitin Proteins”, Y. L. Yeh, C. H. Chang, K. K. Liang, Y. J. Shiu, C. Su, M. Hayashi, C. L. Chyan, G. Yang, Y. Mo, Y. J. Yan, and S. H. Lin, Chem. Phys. Lett.399, 440-45 (2004).
“Experimental and Theoretical Studies of Protein Folding-Unfolding”, Y. J. Shiu, C. Su, Y. L. Yeh, K. K. Liang, M. Hayashi, Y. Mo, Y. J. Yan, and S. H. Lin, J. Chin. Chem. Soc. (Taipei)51, 1161-1173 (2004).
“Thermodynamics and Kinetics of Protein Folding: A Mean Field Theory”, K. K. Liang, M. Hayashi, Y. J. Shiu, Y. Mo, J. S. Shao, Y. J. Yan, and S. H. Lin, Phys. Chem. Chem. Phys. 5, 5300-5308 (2003).
“Application of the Generalized Kinetic Ising Model to the Kinetics of Protein”, K. K. Liang, M. Hayashi, Y. J. Shiu, Y. Mo, J. S. Shao, Y. J. Yan, and S. H. Lin, J. Chin. Chem. Soc. (Taipei)50, 335-38 (2003).
“Non-Markovian Quantum Dissipation in the Presence of External Fields”, R. X. Xu, Y. Mo, P. Cui, S. H. Lin, and Y. J. Yan, in Advanced Topics in Theoretical Chemical Physics: Prog. Theo. Chem. & Phys.12, pp.7-40, edited by J. Maruani, R. Lefebvre, and E. Br?ndas (Kluwer, Dordrecht, 2003).
“Influence of Dissipation on the Stimulated Raman Adiabatic Passage”, Y. Mo, R. X. Xu, and Y. J. Yan, Chin. J. Chem. Phys. 15, 237-40 (2002).