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Amphiphiles at Interfaces pp 116–120Cite as

Solute transport and partitioning in lipid bilayers: Molecular dynamics simulations

  • Vesicles, Bilayers, and Membranes
  • Conference paper
  • First Online:

Part of the book series: Progress in Colloid & Polymer Science ((PROGCOLLOID,volume 103))

Abstract

Results of atomic-level molecular dynamics computer simulations of lipid bilayers are reviewed, including studies of the transport and partitioning of small molecules (solutes) within them. The structure and timescales of the motions of the bilayer are discussed. These are contrasted with the organic/water interface, to which bilayers are often compared. It is shown that the interactions of solutes with the bilayer are governed by the fine aspects of bilayer structure and dynamics and not simply by the hydrophobicity of the solutes. The simulations were shown to support and further refine theories of the mechanism of bilayer permeation and help to rationalize experimental data.

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Author information

Authors and Affiliations

  1. Mail Stop H23-07 ßristol-Myers Squibb Pharmaceutical Research Institute, 08543-4000, Princeton, New Jersey, USA

    Dr. T. R. Stouch

Authors
  1. Dr. T. R. Stouch
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Editor information

J. Texter

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© 1997 Steinkopff Verlag

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Stouch, T.R. (1997). Solute transport and partitioning in lipid bilayers: Molecular dynamics simulations. In: Texter, J. (eds) Amphiphiles at Interfaces. Progress in Colloid & Polymer Science, vol 103. Steinkopff. https://doi.org/10.1007/3-798-51084-9_13

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  • DOI: https://doi.org/10.1007/3-798-51084-9_13

  • Received:

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  • Publisher Name: Steinkopff

  • Print ISBN: 978-3-7985-1084-5

  • Online ISBN: 978-3-7985-1662-5

  • eBook Packages: Springer Book Archive

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