G. Andrés Cisneros

AmberTools

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Journal of Chemical Information and Modeling · 2023 · 1.9K citations · Full text

Natural Sciences, Bioinformatics, Biophysics +15

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

Towards a force field based on density fitting

Jean‐Philip Piquemal, G. Andrés Cisneros, Peter Reinhardt et al. · The Journal of Chemical Physics · 2006 · 195 citations · Full text

Natural Sciences, Chemistry, Biomolecular Modeling +16

Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure

Jean‐Philip Piquemal, L. Perera, G. Andrés Cisneros et al. · The Journal of Chemical Physics · 2006 · 190 citations

Natural Sciences, Chemistry, Physics +17