260 citations · 2.2k across the 37 of their papers we have counts for
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physics.chem-ph1997★ 203 cited
Ion Sizes and Finite-Size Corrections for Ionic-Solvation Free Energies
Gerhard Hummer, Lawrence R. Pratt, Angel E. Garcia
Free energies of ionic solvation calculated from computer simulations exhibit a strong system size dependence. We perform a finite-size analysis based on a dielectric-continuum mod…
physics.chem-ph1997
Electrostatic potentials and free energies of solvation of polar and charged molecules
Gerhard Hummer, Lawrence R. Pratt, Angel E. Garcia +2
Theories of solvation free energies often involve electrostatic potentials at the position of a solute charge. Simulation calculations that apply cutoffs and periodic boundary cond…