Molecular Dynamics Study on Stability and Permeability of Lipid Membranes

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  • Shinoda Wataru
    Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology

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  • 計算機科学から生体膜研究へのアプローチ　　脂質膜の構造安定性と透過性の分子動力学シミュレーションによる予測
  • コウエンロク シシツ マク ノ コウゾウ アンテイセイ ト トウカセイ ノ ブンシ ドウリキガク シミュレーション ニ ヨル ヨソク

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Abstract

A slight structural change in lipid molecules sometimes produces dramatic changes in the membrane properties such as structural stability and solute permeability. For example, archaeal lipids bearing ether-linked, highly branched hydrophobic chains form stabile bilayers with low permeability of ionic and nonionic solutes. Nowadays, it is possible to investigate the alteration of the membrane properties induced by a variation of the molecular structure of lipids by using molecular dynamics (MD) simulations. The approach will open a way to design a novel lipid, which should form a membrane with desirable physical properties on the purpose, based upon molecular simulations. In this review, we will introduce a few of our recent MD studies on the effect of chain branching and ether-linkage on the membrane properties.

Journal

  • MEMBRANE

    MEMBRANE 29 (6), 353-358, 2004

    THE MEMBRANE SOCIETY OF JAPAN

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