1990 | OriginalPaper | Buchkapitel
Molecular Dynamic Simulation of the Interface Aqueous Ionic Solution / Lipid Membrane
verfasst von : K. Nicklas, J. Böcker, M. Schlenkrich, P. Bopp, J. Brickmann
Erschienen in: Software Development in Chemistry 4
Verlag: Springer Berlin Heidelberg
Enthalten in: Professional Book Archive
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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.