Abstract: Simulations of biomolecules often use a simplified description of solvation
effects, instead of explicitly representing individual solventmolecules.
Continuum dielectric models often work well in describingthe thermodynamic
aspects of aqueous solvation, but they often haveproblems describing non-polar
solvation and in dealing with mixed salts or high electrolyte concentrations.
Other implicit solvent models, such as the dielectrically-consistent 3D-RISM
model, go beyond continuumdielectric descriptions and provide estimates of