Format

Send to

Choose Destination
See comment in PubMed Commons below
Biophys J. 2001 Dec;81(6):3077-89.

Model channel ion currents in NaCl-extended simple point charge water solution with applied-field molecular dynamics.

Author information

1
Department of Chemical Engineering, Brigham Young University, Provo, Utah 84602, USA.

Abstract

Using periodic boundary conditions and a constant applied field, we have simulated current flow through an 8.125-A internal diameter, rigid, atomistic channel with polar walls in a rigid membrane using explicit ions and extended simple point charge water. Channel and bath currents were computed from 10 10-ns trajectories for each of 10 different conditions of concentration and applied voltage. An electric field was applied uniformly throughout the system to all mobile atoms. On average, the resultant net electric field falls primarily across the membrane channel, as expected for two conductive baths separated by a membrane capacitance. The channel is rarely occupied by more than one ion. Current-voltage relations are concentration dependent and superlinear at high concentrations.

PMID:
11720976
PMCID:
PMC1301770
DOI:
10.1016/S0006-3495(01)75946-2
[Indexed for MEDLINE]
Free PMC Article
PubMed Commons home

PubMed Commons

0 comments
How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for Elsevier Science Icon for PubMed Central
    Loading ...
    Support Center