On regularization of charge singularities in solving the Poisson-Boltzmann equation with a smooth solute-solvent boundary

On regularization of charge singularities in solving the Poisson-Boltzmann equation with a smooth solute-solvent boundary

Numerical treatment of singular charges is a grand challenge in solving the Poisson-Boltzmann (PB) equation for analyzing electrostatic interactions between the solute biomolecules and the surrounding solvent with ions. For diffuse interface PB models in which solute and solvent are separated by a s...

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Bibliographic Details
Main Authors: Siwen Wang, Emil Alexov, Shan Zhao
Format: Article
Language:English
Published: AIMS Press 2021-04-01
Series:Mathematical Biosciences and Engineering
Subjects:
poisson-boltzmann equation
singular charge source
regularization
diffuse interface
gaussian convolution surface
salt effect
Online Access:http://www.aimspress.com/article/doi/10.3934/mbe.2021072?viewType=HTML

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http://www.aimspress.com/article/doi/10.3934/mbe.2021072?viewType=HTML

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