Electrostatic Free Energy and its Variations in Implicit
Department of Mathematics and Center for Theoretical Biological Physics
University of California, San Diego
In this talk, I will first recall a mean field approximation of
electrostatic free energy for an ionic solution, and discuss
(1) Rigorous mathematical justification
of the existence of equilibrium concentrations and their
(2) The effect of inhomogeneous Dirichlet
boundary condition to the solution of the related Poisson-Boltzmann
equation for the electrostatic potential.
I will then consider a class of variational implicit solvent models
for the solvation of biomolecules, and present a formal
derivation of the first variation of the electrostatic free energy
with respect to the location change of the dielectric boundary.
This result is needed for level-set relaxation and force calculations
of biomolecular structures and dynamics.