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Journal of Computational Electronics

, Volume 2, Issue 2–4, pp 257–262 | Cite as

Brownian Ionic Channel Simulation

  • C. Millar
  • A. Asenov
  • S. Roy
Article

Abstract

The simulation of ion transport in biological ion channels presents numerous interesting challenges. Since there are accurate structures for only a handful of channel proteins it is difficult to predict solely from the conformation how internal and external structure of the molecule will affect it's ionic transport characteristics. This problem is compounded by the fact that the electrostatics and dynamic behaviour of these molecules is, only now, beginning to be understood. We present an ion transport simulation methodology based on a self-consistent Brownian/Poisson technique, that is capable of resolving ion transport on ps-μs timescales including the effect of long range electric fields in complex dielectric structures. The results of the self-consistent Brownian simulation are compared against the commercial drift diffusion simulation package Taurus and experimental measurements of the ion conduction for the Kcsa bacterial ion channel protein.

Brownian dynamics ion channel simulation Kcsa multigrid poisson solver 

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References

  1. 1.
    D.P Tielman, et al., Quarterly Reviews of Biophysics, 34, 4 (2001).Google Scholar
  2. 2.
    B. Hille, Sinauer, 3rd edn. (2002).Google Scholar
  3. 3.
    P. Fromherz, Chem. Phys. Chem., 3, 276 (2002).Google Scholar
  4. 4.
    C. Arokianathan, J. Appl. Phys., 80, 1 (1996).Google Scholar
  5. 5.
    Ashcroft,Merman (W.B. Saunders, 1976).Google Scholar
  6. 6.
    S. Koneshan, et al., J. Phys. Chem. B, 102, (1998).Google Scholar
  7. 7.
    C. Millar, J. Computational Electronics, 1, (2002).Google Scholar
  8. 8.
    U. Multigrid (Trottenberg Academic Press, 2000).Google Scholar
  9. 9.
    H. Kim, Solid State Electronics, 34(11).Google Scholar
  10. 10.
    C. Millar, Nanotech, 2003, Proc., Vol. 3.Google Scholar
  11. 11.
    S. Wigger-Aboud, et al., Nanotech, 2003, Proc., Vol. 3.Google Scholar
  12. 12.
    D. Meuser, et al., FEBS Letters, 462(3), (1999).Google Scholar

Copyright information

© Kluwer Academic Publishers 2003

Authors and Affiliations

  • C. Millar
    • 1
  • A. Asenov
    • 1
  • S. Roy
    • 1
  1. 1.Device Modelling Group, Dept. of Electronics and Electrical EngineeringUniversity of GlasgowGlasgowScotland, UK

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