Christophe Narth

发表

Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short‐range penetration correction up to quadrupoles

Nohad Gresh, Jean-Philip Piquemal, Qiantao Wang, 2016, J. Comput. Chem..

S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.

Nohad Gresh, Jean-Philip Piquemal, Louis Lagardère, 2014, The journal of physical chemistry. A.

General Model for Treating Short-Range Electrostatic Penetration in a Molecular Mechanics Force Field

Nohad Gresh, Jean-Philip Piquemal, Jay W. Ponder, 2015, Journal of chemical theory and computation.