Brownian dynamics simulation of transport properties in potassium ion channels

S. Aboud, D. Marreiro, M. Saraniti, R. Eisenberg

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

1 Scopus citations

Abstract

In this work, a self-consistent Langevin dynamics Poisson solver (LDPS) is used to model the ionic transport properties in ion channel systems. The charge transport behavior in the bulk electrolyte has been compared with the results of an analytic model. Within the LDPS framework, the molecular structure of both the protein and the lipid bilayer are explicitly accounted for, and the atomistic representation of the channel is embedded in the molecular structure of a patch of membrane, included in the computational domain.

Original languageEnglish (US)
Title of host publication2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004
EditorsM. Laudon, B. Romanowicz
Pages135-138
Number of pages4
StatePublished - Nov 2 2004
Externally publishedYes
Event2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004 - Boston, MA, United States
Duration: Mar 7 2004Mar 11 2004

Publication series

Name2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004
Volume1

Other

Other2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004
CountryUnited States
CityBoston, MA
Period3/7/043/11/04

Keywords

  • Brownian Dynamics
  • Electrolyte solution
  • Langevin
  • Poisson equation
  • Potassium channels

ASJC Scopus subject areas

  • Engineering(all)

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  • Cite this

    Aboud, S., Marreiro, D., Saraniti, M., & Eisenberg, R. (2004). Brownian dynamics simulation of transport properties in potassium ion channels. In M. Laudon, & B. Romanowicz (Eds.), 2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004 (pp. 135-138). (2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004; Vol. 1).