跨膜纳米管周围的脂质双层扰动：粗粒度分子动力学研究
Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study.
作者信息
Nielsen Steve O, Ensing Bernd, Ortiz Vanessa, Moore Preston B, Klein Michael L
机构信息
Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, Philadelphia, USA.
出版信息
Biophys J. 2005 Jun;88(6):3822-8. doi: 10.1529/biophysj.104.057703. Epub 2005 Mar 18.
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.
摘要
利用粗粒度分子动力学研究了跨膜纳米管的存在对脂质双层产生的扰动。脂质形成弯月面以及纳米管倾斜是对疏水不匹配的响应，尽管这两种效应并不能完全补偿总的不匹配。研究了脂质的头-尾矢量场，结果表明，无论纳米管长度如何，该矢量场在膜平面内都表现出强烈的有序性。报告了脂质-纳米管界面处的分子分层情况。本研究将先前的理论方法扩展到了更实际的情况。
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