Journal
IEEE TRANSACTIONS ON NANOBIOSCIENCE
Volume 4, Issue 1, Pages 81-93Publisher
IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
DOI: 10.1109/TNB.2004.842495
Keywords
biological system modeling; biomembranes; dielectric liquids; finite difference methods; potential of mean force; protein fluctuations
Funding
- NIGMS NIH HHS [R01 GM067962, R01 GM067962-01A2] Funding Source: Medline
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The Poisson-Nernst-Planck (PNP) theory of electro-diffusion is reviewed. Techniques for numerical solution of the three-dimensional PNP equations are summarized, and several illustrative applications to ion transport through protein channels are presented. Strengths and weaknesses of the theory are discussed, as well as attempts to improve it via increasingly realistic evaluation of the force acting on each ion due to the protein/membrane environment.
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