@Article{CiCP-13-174,
author = {Dexuan Xie and Hans W. Volkmer},
title = {A Modified Nonlocal Continuum Electrostatic Model for Protein in Water and Its Analytical Solutions for Ionic Born Models},
journal = {Communications in Computational Physics},
year = {2013},
volume = {13},
number = {1},
pages = {174--194},
abstract = {<p style="text-align: justify;">A nonlocal continuum electrostatic model, defined as integro-differential
equations, can significantly improve the classic Poisson dielectric model, but is too
costly to be applied to large protein simulations. To sharply reduce the model&#39;s complexity, a modified nonlocal continuum electrostatic model is presented in this paper
for a protein immersed in water solvent, and then transformed equivalently as a system of partial differential equations. By using this new differential equation system,
analytical solutions are derived for three different nonlocal ionic Born models, where a
monoatomic ion is treated as a dielectric continuum ball with point charge either in the
center or uniformly distributed on the surface of the ball. These solutions are analytically verified to satisfy the original integro-differential equations, thereby, validating
the new differential equation system.</p>},
issn = {1991-7120},
doi = {https://doi.org/10.4208/cicp.170811.211011s},
url = {http://global-sci.org/intro/article_detail/cicp/7217.html}
}