Ionic diffusion through protein channels: From molecular description to continuum equations

B. Nadler, Z. Schuss, Amit Singer, B. Eisenberg

Research output: Chapter in Book/Report/Conference proceedingConference contribution

23 Scopus citations

Abstract

Ionic permeation through protein channels is a process of considerable physiological importance. Permeation occurs on a microsecond time scale, so direct molecular simulations with femtosecond time increments are not possible and a coarser description is unavoidable. Standard continuum formulations based on macroscopic conservation laws, such as the Poisson-Nernst-Planck equations, however, cannot be assumed valid in narrow channels. Thus the problem at hand is the description of ionic diffusion through narrow regions by averaged continuum equations. In this paper we propose a mathematical averaging procedure that, starting from a Langevin model of ionic motion, yields a coupled system of Poisson and Nernst-Planck type equations, containing conditional and unconditional charge densities. The proposed system of equations includes molecular details such as excluded volume effects and the dielectric force on a discrete ion that are absent in the PNP system.

Original languageEnglish (US)
Title of host publication2003 Nanotechnology Conference and Trade Show - Nanotech 2003
EditorsM. Laudon, B. Romanowicz
Pages439-442
Number of pages4
Volume3
StatePublished - Dec 1 2003
Externally publishedYes
Event2003 Nanotechnology Conference and Trade Show - Nanotech 2003 - San Francisco, CA, United States
Duration: Feb 23 2003Feb 27 2003

Other

Other2003 Nanotechnology Conference and Trade Show - Nanotech 2003
CountryUnited States
CitySan Francisco, CA
Period2/23/032/27/03

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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    Nadler, B., Schuss, Z., Singer, A., & Eisenberg, B. (2003). Ionic diffusion through protein channels: From molecular description to continuum equations. In M. Laudon, & B. Romanowicz (Eds.), 2003 Nanotechnology Conference and Trade Show - Nanotech 2003 (Vol. 3, pp. 439-442)