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2000-2003

发布日期: 2021-05-10 19:57


l  Ruhong ZhouTrp-cage: Folding Free Energy Landscape in Explicit WaterProc. Natl. Acad. Sci., 100, 13280-13285, 2003

l  Ruhong Zhouand B. J. Berne*, Can a continuum solvent model reproduce the free energy landscape of a beta-hairpin folding in water?Proc. Natl. Acad. Sci.99, 12777-12782, 2002 

l  Ruhong Zhou, B. J. Berne* and R. Germain, Free energy landscape of a beta-hairpin folding in explicit waterProc. Natl. Acad. Sci.98, 14931-14936, 2001 

l  G. Kaminski, R. A. Friesner andRuhong Zhou*A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulation, J. Comp. Chem. 24, 267-276, 2003 

l  Ruhong Zhou*, B. D. Silverman, A. Royyuru, and P. Athma, Spatial Profiling of Protein Hydrophobicity: Native vs. Decoy Structures , Proteins, 52, 561-572, 2003 

l  Ruhong ZhouFolding free energy landscape of protein folding in water: explicit vs. implicit solvent, Proteins 53, 148-161, 2003 

l  B. G. Fitch, R. S. Germain*, M. Mendell, J. Pitera, M. Pitman, A. Rayshubskiy, Y. Sham, F. Suits, W. Swope, T. J. C. Ward, Y. Zhestkov, and Ruhong ZhouBlue Matter, An Application Framework for Molecular Simulation on Blue Gene , J. Parallel & Distrib. Comput. 63, 759-773, 2003 

l  Ruhong ZhouExploring Protein Folding Free Energy Landscape: Replica Exchange Monte Carlo , Eds, J. E. Gubernatis, The Monte Carlo Method in the Physical Sciences, Celebrating the 50th Anniversary of the Metropolis Algorithm, AIP Conf. Proc. Vol. 690, 406-408, 2003 

l  G. A. Kaminski, H. A. Stern, B. J. Berne, R. A. Friesner*, Y. Cao, R. B. Murphy, Ruhong Zhou, and T. A. Halgren, Development of a Polarizable Force Field for Proteins via ab initio Quantum Chemistry: First Generation Model and Gas phase Tests,J. Comp. Chem. 23, 1515-1531, 2002 

l  Ruhong Zhouand B. D. Silverman, Detecting native protein folds among large decoy sets with hydrophobic moments profiling, Proc. Paci. Symp. Biocomp. 2002, Eds. R. B. Altman, A. K. Dunker, L. Hunter, K. Lauderdale and T. E. Klein, p673-684, World Scientific, Singapore, 2002 

l  Ruhong Zhou, E. Harder, H. Xu and B. J. Berne*, Efficient multiple time step method for use with Ewald and Particle-Mesh Ewald for large biomolecular systems , J. Chem. Phys. 115, 2348-2358, 2001 

l  Ruhong Zhou*, R. A. Friesner, A. Ghosh, R. C. Rizzo, W. L. Jorgensen, and R. M. Levy, New Linear Interaction Method for Binding Affinity Calculations using a Continuum Solvent Model, J. Phys. Chem. B105, 10388-10397, 2001 

l   F. Allen, et al. Ruhong Zhou,Blue Gene: A vision for protein science using a petaflop supercomputer, IBM Systems Journal 40, 310-327, 2001

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