title: Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study.
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.
authors.affiliation: Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, Philadelphia, USA. snielsen@cmm.upenn.edu
authors.forename: Steve O
authors.initials: SO
authors.lastname: Nielsen
authors.forename: Bernd
authors.initials: B
authors.lastname: Ensing
authors.forename: Vanessa
authors.initials: V
authors.lastname: Ortiz
authors.forename: Preston B
authors.initials: PB
authors.lastname: Moore
authors.forename: Michael L
authors.initials: ML
authors.lastname: Klein
mesh_terms: D055592:Biophysical Phenomena; D001703:Biophysics; D066298:In Vitro Techniques; D008051:Lipid Bilayers / Q000737:chemistry*; D046911:Macromolecular Substances; D008958:Models, Molecular; D043942:Nanotubes; D055672:Static Electricity; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
chemical_list: D008051:Lipid Bilayers; D046911:Macromolecular Substances; D014867:Water