Emilio Gallicchio

Enthalpy−Entropy and Cavity Decomposition of Alkane Hydration Free Energies:  Numerical Results and Implications for Theories of Hydrophobic Solvation

Emilio Gallicchio, Masahito Kubo, Ronald M. Levy · The Journal of Physical Chemistry B · 2000 · 356 citations

Engineering, Computational Chemistry, Chemistry +21

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

Peter Eastman, Raimondas Galvelis, Raúl P. Peláez et al. · The Journal of Physical Chemistry B · 2023 · 350 citations · Full text

Engineering, Machine Learning, Physics +15

AGBNP: An analytic implicit solvent model suitable for molecular dynamics simulations and high‐resolution modeling

Emilio Gallicchio, Ronald M. Levy · Journal of Computational Chemistry · 2004 · 327 citations

On the Nonpolar Hydration Free Energy of Proteins:  Surface Area and Continuum Solvent Models for the Solute−Solvent Interaction Energy

Ronald M. Levy, Linda Y. Zhang, Emilio Gallicchio et al. · Journal of the American Chemical Society · 2003 · 282 citations

The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators

Emilio Gallicchio, Linda Yu Zhang, Ronald M. Levy · Journal of Computational Chemistry · 2002 · 253 citations