화학공학소재연구정보센터
검색결과 : 90건
No. Article
81 New linear interaction method for binding affinity calculations using a continuum solvent model
Zhou RH, Friesner RA, Ghosh A, Rizzo RC, Jorgensen WL, Levy RM
Journal of Physical Chemistry B, 105(42), 10388, 2001
82 Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model
Banks JL, Kaminski GA, Zhou RH, Mainz DT, Berne BJ, Friesner RA
Journal of Chemical Physics, 110(2), 741, 1999
83 Poisson-Boltzmann analytical gradients for molecular modeling calculations
Friedrichs M, Zhou RH, Edinger SR, Friesner RA
Journal of Physical Chemistry B, 103(16), 3057, 1999
84 Fluctuating charge, polarizable dipole, and combined models: Parameterization from ab initio quantum chemistry
Stern HA, Kaminski GA, Banks JL, Zhou RH, Berne BJ, Friesner RA
Journal of Physical Chemistry B, 103(22), 4730, 1999
85 Large-Scale Simulation of Macromolecules in Solution - Combining the Periodic Fast Multipole Method with Multiple Time-Step Integrators
Figueirido F, Levy RM, Zhou RH, Berne BJ
Journal of Chemical Physics, 106(23), 9835, 1997
86 Large scale simulation of macromolecules in solution: Combining the periodic fast multipole method with multiple time step integrators (vol 106, pg 9835, 1997)
Figueirido F, Levy RM, Zhou RH, Berne BJ
Journal of Chemical Physics, 107(17), 7002, 1997
87 Smart walking: A new method for Boltzmann sampling of protein conformations
Zhou RH, Berne BJ
Journal of Chemical Physics, 107(21), 9185, 1997
88 Molecular-Dynamics for Nonequilibrium Systems in Which There Are a Small Number of Very Hot Particles in a Cold Bath - Reference System Propagator Methods
Zhou RH, Stuart SJ, Berne BJ
Journal of Chemical Physics, 105(1), 235, 1996
89 Molecular-Dynamics with Multiple Time Scales - The Selection of Efficient Reference System Propagators
Stuart SJ, Zhou RH, Berne BJ
Journal of Chemical Physics, 105(4), 1426, 1996
90 A New Molecular-Dynamics Method Combining the Reference System Propagator Algorithm with a Fast Multipole Method for Simulating Proteins and Other Complex-Systems
Zhou RH, Berne BJ
Journal of Chemical Physics, 103(21), 9444, 1995