Department of Mathematics,
University of California San Diego
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Informal Seminar on Mathematics and Biochemistry-Biophysics
Bo Li
UCSD
Electrostatic free energy and its variations in implicit solvent models
Abstract:
n this talk, I will first recall a mean field approximation of electrostatic free energy for an ionic solution, and discuss two issues: (1) Rigorous mathematical justification of the existence of equilibrium concentrations and their Boltzmann relations; (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. http://www.math.ucsd.edu/~bli/research/MBBseminar/
Organizer: Bo Li \\ Department of Mathematics and Center for Theoretical
September 25, 2007
3:00 PM
AP&M 5402
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