Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study |
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Authors: | Nielsen Steve O Ensing Bernd Ortiz Vanessa Moore Preston B Klein Michael L |
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Affiliation: | Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, Philadelphia, USA. snielsen@cmm.upenn.edu |
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Abstract: | The perturbations induced in a lipid bilayer by the presence of a transmembrane nanotube are investigated using coarse grained molecular dynamics. Meniscus formation by the lipids and tilting of the nanotube occur in response to hydrophobic mismatch, although these two effects do not compensate completely for the total mismatch. The lipid head-to-tail vector field is examined and shows strong ordering in the membrane plane regardless of the nanotube length. Molecular layering at the lipid-nanotube interface is reported. This study extends previous theoretical approaches to a more realistic setting. |
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