ABSTRACT

Solvation is an elementary process in nature and is particularly

essential to biology. Physically, the solvation process can be

described by a variety of interactions, such as electrostatic, dipolar,

induced dipolar, and van der Waals, between the solvent and solute.

Due to the ubiquitous nature of electrostatics and the aqueous

environment common to most biomolecular systems, molecular

solvation and electrostatics analysis is significantly important to

research in chemistry, biophysics, and medicine. Such analyses can

be classified into two general types: (1) quantitative analysis for

thermodynamic or kinetic observables and (2) qualitative analysis

for general characteristics of biomolecular solvation.