The text presents a set of numerical techniques that
extend and improve computational modeling
approaches for biomolecule analysis and design. The
presented research focuses on surface
formulations of modeling problems related to the
estimation of the energetic cost to transfer a
biomolecule from the gas phase to aqueous solution.
Four contributions to modeling biomolecular
interactions are presented. The first section
describes an approach to allow accurate
discretization of the most prevalent definitions of
the biomolecule-solvent interface, and numerical
methods for numerically...