The role of long-range forces in porin channel conduction

Shela Aboud, David Marreiro, Marco Saraniti, Robert Eisenberg

Research output: Contribution to journalArticle

Abstract

A fully self-consistent 3D Poisson P3M Brownian dynamics solver is used to investigate the role of the long-range electrostatic forces on the selectivity and conductivity of OmpF porin. Our simulations show that even with zero applied bias, the long-range interactions are an important component of the total potential energy. In addition, the long-range force due to mobile carriers is shown to play a role in facilitating the flow of anions through the OmpF channel by screening the effect of the negative fixed charge of the protein.

Original languageEnglish (US)
Pages (from-to)175-178
Number of pages4
JournalJournal of Computational Electronics
Volume4
Issue number1-2
DOIs
StatePublished - Apr 1 2005
Externally publishedYes

Keywords

  • Brownian dynamics
  • OmpF porin
  • PM force field

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Modeling and Simulation
  • Electrical and Electronic Engineering

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