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Software Development in Chemistry 4 pp 311–320Cite as

Molecular Dynamic Simulation of the Interface Aqueous Ionic Solution / Lipid Membrane

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Abstract

The interface between an ionic solution and a membrane, modelled by an ensemble of COO− groups with translational and rotational degrees of freedom, is studied by molecular dynamics (MD) computer simulations. The charged membrane leads to a layering of the ions and the water molecules. Several water layers can be distinguished with structural properties very different from those found in the bulk phase.

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References

  1. Skerra A., Brickmann J. (1987) Biophys.J. 51:969, and references therin Schlenkrich M., Bopp P., Knoblauch M., Skerra A., Brickmann J. (1988) Advances in Biotechnology of Membrane Ion Transport, edited by Jorgensen P.L., Verna A., Raven Press New York

    Google Scholar 

  2. Jorgensen W.L., Chandrasekhar J., Madura J.D., Impey R.W., Klein M.L. (1983) J.Chem.Phys. 79:926

    Article  CAS  Google Scholar 

  3. Jain M. (1988) Biological membranes. John Wiley & Sons New York

    Google Scholar 

  4. Jancsó G., Bopp.P, Heinzinger K. (1984) Chem.Phys. 85:377

    Article  Google Scholar 

  5. Jorgensen W.L., Gao J. (1986) J.Phys.Chem. 90:2174

    Article  CAS  Google Scholar 

  6. Heinzinger K. (1985) Pure & Appl.Chem. 57:1031

    Article  CAS  Google Scholar 

  7. Bounds D.G. (1985) Mol. Phys. 554:1335

    Article  Google Scholar 

  8. Street W.B., Tildesley D.J., Saville G. (1978) ACS Symp.Ser. 86:144

    Article  Google Scholar 

  9. Heinzinger K., Pálinkás G. (1987) Interaction of Water in Ionic and Non-Ionic Hydrates, edited by H.Kleeberg, Springer Verlag Berlin

    Google Scholar 

  10. Lee S.H., Rasaijah J.C., Hubbard J.B. (1987) J.Chem.Phys. 86:2383

    Google Scholar 

  11. Torrie G.M., Kusalik P.G., Patey G.N. (1989) J.Chem.Phys. 90:4513

    Article  CAS  Google Scholar 

  12. Schlenkrich M., Nicklas K., Brickmann J., Bopp P. Ber.Bunsen.Phys.Chem. 1990 in press

    Google Scholar 

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Author information

Authors and Affiliations

  1. Institut für Physikalische Chemie, Technische Hochschule Darmstadt, Petersenstrasse 20, 6100, Darmstadt, Federal Republic of Germany

    K. Nicklas, J. Böcker, M. Schlenkrich, P. Bopp & J. Brickmann

Authors
  1. K. Nicklas
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  2. J. Böcker
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  3. M. Schlenkrich
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  4. P. Bopp
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  5. J. Brickmann
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Editor information

Editors and Affiliations

  1. Institute of Organic Chemistry, Technical University of Munich, Lichtenbergstraße 4, D-8046, Garching, Germany

    Johann Gasteiger

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© 1990 Springer-Verlag Berlin Heidelberg

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Nicklas, K., Böcker, J., Schlenkrich, M., Bopp, P., Brickmann, J. (1990). Molecular Dynamic Simulation of the Interface Aqueous Ionic Solution / Lipid Membrane. In: Gasteiger, J. (eds) Software Development in Chemistry 4. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-75430-2_33

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  • DOI: https://doi.org/10.1007/978-3-642-75430-2_33

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-52173-0

  • Online ISBN: 978-3-642-75430-2

  • eBook Packages: Springer Book Archive

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