G. Andrés Cisneros

AmberTools

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Journal of Chemical Information and Modeling · 2023 · 1.5K citations · Full text

Molecular Diversity, Engineering, Newer Features +11

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 · 353 citations · Full text

Engineering, Ligand−macromolecule Complexes, Molecular Biology +21

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 · 265 citations · Full text

Towards a force field based on density fitting

Jean‐Philip Piquemal, G. Andrés Cisneros, Peter Reinhardt et al. · The Journal of Chemical Physics · 2006 · 193 citations · Full text

Engineering, Mechanical Engineering, Particle Method +21

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