printable pdf
比利时vs摩洛哥足彩 ,
university of california san diego

****************************

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. //www.ladysinger.com/~bli/research/mbbseminar/

organizer: bo li \\ 比利时vs摩洛哥足彩 and center for theoretical

september 25, 2007

3:00 pm

ap&m 5402

****************************