Molecular Dynamics Simulation of Continuous Current Flow through a Model Biological Membrane Channel

Paul S. Crozier, Richard L. Rowley, Nathan B. Holladay, Douglas Henderson, and David D. Busath
Phys. Rev. Lett. 86, 2467 – Published 12 March 2001
PDFExport Citation

Abstract

The conductance of sodium ions through a simplified channel-membrane system immersed in a reservoir of 1M NaCl in SPC/E water is examined by molecular dynamics simulation. An applied external potential of 1.1 V drives the ions and water through a channel of length 25 Å producing a current of 19.6 pA, in reasonable agreement with experimental findings. The stream of ions and water molecules flows continuously because of the constant applied field and periodic boundary conditions. We also examine the potential profile across the simulation cell, the average density distributions of the various species in the reservoir and radially in the channel, and the ion velocity in the channel.

  • Received 22 August 2000

DOI:https://doi.org/10.1103/PhysRevLett.86.2467

©2001 American Physical Society

Authors & Affiliations

Paul S. Crozier and Richard L. Rowley

  • Department of Chemical Engineering, Brigham Young University, Provo, Utah 84602

Nathan B. Holladay and Douglas Henderson

  • Department of Chemistry and Biochemistry, Brigham Young University, Provo, Utah 84602

David D. Busath

  • Department of Zoology and Center for Neuroscience, Brigham Young University, Provo, Utah 84602

References (Subscription Required)

Click to Expand
Issue

Vol. 86, Iss. 11 — 12 March 2001

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×