21 citations · 21 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2023
Why solvent response contributions to solvation free energies are compatible with Ben-Naim's theorem
Leonard P. Heinz, Helmut Grubmüller
We resolve a seeming paradox arising from a common misinterpretation of Ben-Naim's theorem, which rests on a pairwise decomposition of the Hamiltonian of a molecular solute/solvent…
physics.bio-ph2019★ 21 cited
Computing spatially resolved rotational hydration entropies from atomistic simulations
Leonard P. Heinz, Helmut Grubmüller
For a first principles understanding of macromolecular processes, a quantitative understanding of the underlying free energy landscape and in particular its entropy contribution is…