Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I : Finite Element Solutions

In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Ner...

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Publié dans:Journal of computational physics. - 1986. - 229(2010), 19 vom: 20. Sept., Seite 6979-6994
Auteur principal: Lu, Benzhuo (Auteur)
Autres auteurs: Holst, Michael J, McCammon, J Andrew, Zhou, Y C
Format: Article
Langue:English
Publié: 2010
Accès à la collection:Journal of computational physics
Sujets:Journal Article