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Molecular Dynamics Simulation of Ion Channels

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New Horizons of Computational Science

Part of the book series: Astrophysics and Space Science Library ((ASSL,volume 263))

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Abstract

Although the biological function of ion channels associated with cells has been clarified, an atomic level understanding of these transmembrane proteins is still lacking. Molecular Dynamics (MD) simulations are a well suited tool to gain insight into the function of such proteins in their host environment. First, we give a brief introduction to the field of ion channels by describing the basic properties, structure, and function of an ion channel. We then present specific results for three a-helical bundles: the synthetic LS2 and LS3 channels, and a shortened sequence of the M2 channel protein associated with the influenza virus.

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Authors and Affiliations

  1. Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, 19104-6323, Philadelphia, PA, USA

    Qingfeng Zhong, Thomas Husslein & Michael L. Klein

Authors
  1. Qingfeng Zhong
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  2. Thomas Husslein
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Editor information

Editors and Affiliations

  1. Institute of Physical and Chemical Research, Wako, Saitama-ken, Japan

    T. Ebisuzaki

  2. The University of Tokyo, Tokyo, Japan

    J. Makino

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© 2001 Springer Science+Business Media Dordrecht

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Zhong, Q., Husslein, T., Klein, M.L. (2001). Molecular Dynamics Simulation of Ion Channels. In: Ebisuzaki, T., Makino, J. (eds) New Horizons of Computational Science. Astrophysics and Space Science Library, vol 263. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0864-8_18

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  • DOI: https://doi.org/10.1007/978-94-010-0864-8_18

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-3848-5

  • Online ISBN: 978-94-010-0864-8

  • eBook Packages: Springer Book Archive

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