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
details of the solventdistributions.  I will discuss the performance of such
methods for aqueous electrolytes, comparing results to explicit solvent
molecular dynamicsand to experiment.  More biochemical applications include
mechanicaland electrostatic properties of linear and circular DNA, binding of
monovalent and divalent ions to nucleic acids, and interactions of inhibitors
with Factor Xa.