海量图书期刊资源,随时随地畅享阅读乐趣
Multipole electrostatics in hydration free energy calculationsYue Shi; Chuanjie Wu; Jay W. Ponder; Pengyu Ren · 2011
Polarizable Atomic Multipole Water Model for Molecular Mechanics SimulationRen, Pengyu; Ponder, Jay W. · The Journal of Physical Chemistry B · 2003
Temperature and Pressure Dependence of the AMOEBA Water ModelRen, Pengyu; Ponder, Jay W. · The Journal of Physical Chemistry B · 2004
Ion Solvation Thermodynamics from Simulation with a Polarizable Force FieldGrossfield, Alan; Ren, Pengyu; Ponder, Jay W. · 2003
Polarizable Atomic Multipole-Based Molecular Mechanics for Organic MoleculesRen, Pengyu; Wu, Chuanjie; Ponder, Jay W. · Journal of Chemical Theory and Computation · 2011
Polarizable atomic multipole solutes in a Poisson-Boltzmann continuumSchnieders, Michael J.; Baker, Nathan A.; Ren, Pengyu; Ponder, Jay W. · The Journal of Chemical Physics · 2007
A physically grounded damped dispersion model with particle mesh Ewald summationRackers, Joshua A.; Liu, Chengwen; Ren, Pengyu; Ponder, Jay W. · The Journal of Chemical Physics · 2018