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1995-1999

发布日期: 2021-05-10 19:56


l   J. Banks, G. Kirminski, Ruhong Zhou, B. J. Berne*, and R. A. Friesner, Parametrizing a Polarizable Force Field from ab initio Data. I: The Fluctuating Point Charge Model , J. Chem. Phys. 110, 741-754, 1999 

l  M. Friedrich, Ruhong Zhou, S. Edinger, and R. A. Friesner, Poisson-Boltzmann Analytical Gradients for Molecular Modeling Calculations, J. Phys. Chem. 103, 3057-3061, 1999 

l  H. A. Stern, G. Kirminski, J. Banks, Ruhong Zhou, B. J. Berne*, R. A. Friesner, Fluctuating charge, polarizable dipole, and combined models: Parameterization from ab initio quantum chemistry, J. Phys. Chem. B103, 4730-4737, 1999 

l  Ruhong Zhouand B. J. Berne*, Large scale simulation of solvated proteins: Combining a multiple time step integrator with a periodic fast multipole method, in P. Deuflhard, J. Hermans, B. Leimkuhler, A. Mark, S. Reich, R. D. Skeel editors, Computational Molecular Dynamics: Challenges, Methods, Ideas, Volume 4 of Lecture Notes in Computational Science and Engineering, Springer-Verlag, Nov 1998 

l   F. Figueirido, Ruhong Zhou, B. J. Berne*, and R. M. Levy, Large Scale simulation of macromolecules in solution: Combining the periodic Fast Multipole Method with multiple time step integrators , J. Chem. Phys. 106, 9835, 1997 

l  Ruhong Zhouand B. J. Berne*, Smart Walking: a new method for Boltzmann sampling of protein conformations, J. Chem. Phys. 107, 9185, 1997 

l   S. J. Stuart, Ruhong Zhouand B. J. Berne*, Molecular Dynamics with Multiple Timescales: The Selection of Efficient Reference System Propagators , J. Chem. Phys. 105, 1426, 1996 

l  Ruhong Zhou, S. J. Stuart and B. J. Berne*, Molecular Dynamics for nonequilibrium systems in which there are a small number of very hot particles in a cold bath: Reference System Propagator Methods , J. Chem. Phys. 105, 235, 1996 

l  Ruhong Zhouand B. J. Berne*, A new molecular dynamics method combing the reference system propagator algorithm with a fast multipole method for simulating proteins , J. Chem. Phys. 103, 9444, 1995 

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