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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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Autors principals: Lu, Benzhuo, Holst, Michael J., McCammon, J. Andrew, Zhou, Y. C.
Format: Artigo
Idioma:Inglês
Publicat: 2010
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2922884/
https://ncbi.nlm.nih.gov/pubmed/21709855
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jcp.2010.05.035
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