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Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvated ionsMaria M. Reif and Philippe H. Hünenberger
The Journal of Chemical Physics 134 (14) (2011)
Molecular Dynamics Simulations of a Reversibly Folding β-Heptapeptide in Methanol: Influence of the Treatment of Long-Range Electrostatic InteractionsMaria M. Reif, Vincent Kräutler, Mika A. Kastenholz, Xavier Daura and Philippe H. Hünenberger
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The electric potential of a macromolecule in a solvent: A fundamental approachAndréH Juffer, Eugen F.F Botta, Bert A.M van Keulen, Auke van der Ploeg and Herman J.C Berendsen
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