Progress in developing Poisson-Boltzmann equation solvers
نویسندگان
چکیده
منابع مشابه
Progress 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...
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1 Departments of Mathematics and Physics, University of California San Diego, La Jolla, CA 92093. Supported in part by NSF Awards 0715146 and 0915220, and by CTBP and NBCR, [email protected], http://ccom.ucsd.edu/ ̃mholst/ 2 Department of Mathematics, University of California San Diego, La Jolla, CA 92093. Supported in part by NSF Award 0715146, [email protected] 3 Department of Mathemat...
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Efficiency and accuracy are two major concerns in numerical solutions of the Poisson-Boltzmann equation for applications in chemistry and biophysics. Recent developments in boundary element methods, interface methods, adaptive methods, finite element methods, and other approaches for the Poisson-Boltzmann equation as well as related mesh generation techniques are reviewed. We also discussed the...
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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...
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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...
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ژورنال
عنوان ژورنال: Computational and Mathematical Biophysics
سال: 2013
ISSN: 2544-7297
DOI: 10.2478/mlbmb-2013-0002