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NCN Nano-Devices for Medicine and Biology: Simulation Tools for Research

BioMOCA Suite

This resource has a 6.3 Ranking

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Overall Period: Updated 24 Jul, 2008
Users: 54
Jobs: 376
Avg. exec. time: 57 secs
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Avg. Review: 0.0 out of 5 stars
Citations: 0

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Supporting Documents

Version 2.3 - published on 01 May, 2008
Contributor(s) David Papke, Reza Toghraee, Umberto Ravaioli
University of Illinois, Urbana-Champaign
At a glance Simulates ion flow through a channel.
Description

The BioMOCA Suite can perform ion channel flow simulations on any user supplied channel. The suite includes: a map generator subtool, which produces protein maps for BioMOCA from the supplied PQR file; a lipid wrapper subtool, which allows the user to embed their channel in a membrane; and the boundary force potential calculator, which determines the potential energy barrier presented by the channel. The user can also download the acc and charge files produced by the map generator and lipid wrapper.

Finally, the suite contains the biology Monte Carlo simulator, which simulates ion channel flow through the user provided channel. The user has the ability to change a number of parameters, including the transmembrane voltage, intra- and extra-cellular concentrations of Na+, Cl-, K+, Ca2+, and Mg2+, and the run time.

A sample PQR file (of the gramicidin channel) can be downloaded to the right in the supporting documents section. Additionally, in the related resources secion below you can find a presentation on how the BioMOCA code works, as well as a practical guide explaining how to use the BioMOCA Suite.

Credits

Computational Electronics Group, University of Illinois at Urbanca-Champign. This work is funded by the NSF.

Cite this work

If you reference this work in a publication, please cite as follows:

  • T.A. Vad Der Straaten, G. Kathawala, A. Trellakis, R.S. Eisenberg, and U. Ravaioli, "BioMOCA - a Boltzmann transport Monte Carlo model for ion channel simulations," Molecular Simulatin, Vol. 31, No. 2-3, pp 151-171 (2005).
  • Papke, David; Toghraee, Reza; Ravaioli, Umberto (2008), "BioMOCA Suite," doi: 10254/nanohub-r3981.7.

    BibTex | EndNote

In addition, we would appreciate it if you would add the following acknowledgment to your publication:

  • Simulation services for results presented here were provided by the Network for Computational Nanotechnology (NCN) at nanoHUB.org

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  • 5.1 Ranking Series Part of: NCN Nano-Devices for Medicine and Biology: Simulation Tools for Research

    NCN Nano-Devices for Medicine and Biology: Simulation Tools for Research

    Type Series
    Date 19 Jun, 2008
    Avg. Rating 0.0 out of 5 stars  (0)
    Rate this

    Many simulation tools are available on the nanoHUB. The tools have been well-tested and here include supporting materials so that they can be effectively used for research. The research tools include a first time users guide and supporting publications and theses.

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