منابع مشابه
Analysis of a Nonlocal Poisson-Boltzmann Equation
A nonlinear, nonlocal dielectric continuum model, called the nonlocal modified PoissonBoltzmann equation (NMPBE), has been proposed to reflect the spatial-frequency dependence of dielectric permittivity in the calculation of electrostatics of ionic-solvated biomolecules. However, its analysis is difficult due to its definition involving Dirac delta distributions for modeling point charges, expo...
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The linearized Poisson-Boltzmann equation is considered for boundary conditions corresponding to a fixed point-charge ion near the planar boundary between an electrolytic solution and a dielectric substrate. Use of the Fourier expansion for this fixed charge density allows the mean potential to be synthesized in the form of a simple quadrature. Subsequently, it is possible to compute the revers...
متن کاملMultigrid solution of the Poisson - Boltzmann equation
A multigrid method is presented for the numerical solution of the linearized Poisson-Boltzmann equation arising in molecular biophysics. The equation is discretized with the finite volume method, and the numerical solution of the discrete equations is accomplished with multiple grid techniques originally developed for two-dimensional interface problems occurring in reactor physics. A detailed a...
متن کاملProgress in developing Poisson-Boltzmann equation solvers.
This review outlines the recent progress made in developing more accurate and efficient solutions to model electrostatics in systems comprised of bio-macromolecules and nano-objects, the last one referring to objects that do not have biological function themselves but nowadays are frequently used in biophysical and medical approaches in conjunction with bio-macromolecules. The problem of modeli...
متن کاملOn removal of charge singularity in Poisson-Boltzmann equation.
The Poisson-Boltzmann theory has become widely accepted in modeling electrostatic solvation interactions in biomolecular calculations. However the standard practice of atomic point charges in molecular mechanics force fields introduces singularity into the Poisson-Boltzmann equation. The finite-difference/finite-volume discretization approach to the Poisson-Boltzmann equation alleviates the num...
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ژورنال
عنوان ژورنال: Applicationes Mathematicae
سال: 1991
ISSN: 1233-7234,1730-6280
DOI: 10.4064/am-21-4-591-595