Nohad Gresh

Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand−Macromolecule Complexes. A Bottom-Up Strategy

Nohad Gresh, G. Andrés Cisneros, Thomas A. Darden et al. · Journal of Chemical Theory and Computation · 2007 · 355 citations

Natural Sciences, Biophysics, Chemistry +15

Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

Louis Lagardère, Luc-Henri Jolly, Filippo Lipparini et al. · Chemical Science · 2017 · 268 citations · Full text

Natural Sciences, High-performance Computing, Physics +10

Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution

Jean‐Philip Piquemal, Nohad Gresh, C. Giessner‐Prettre · The Journal of Physical Chemistry A · 2003 · 146 citations

Natural Sciences, Chemistry, Computational Chemistry +15

Energetics of Zn²⁺ binding to a series of biologically relevant ligands: A molecular mechanics investigation grounded on <i>ab initio</i> self‐consistent field supermolecular computations

Nohad Gresh · Journal of Computational Chemistry · 1995 · 127 citations

Natural Sciences, Biophysics, Chemistry +17

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

Qiantao Wang, Joshua A. Rackers, Chenfeng He et al. · Journal of Chemical Theory and Computation · 2015 · 116 citations · Full text

Natural Sciences, Chemistry, Biomolecular Modeling +16