Coarse-grained molecular dynamics simulation of binary charged lipid membranes: Phase separation and morphological dynamics

Hiroaki Ito, Yuji Higuchi, Naofumi Shimokawa

研究成果: Article査読

6 被引用数 (Scopus)

抄録

Biomembranes, which are mainly composed of neutral and charged lipids, exhibit a large variety of functional structures and dynamics. Here, we report a coarse-grained molecular dynamics (MD) simulation of the phase separation and morphological dynamics in charged lipid bilayer vesicles. The screened long-range electrostatic repulsion among charged head groups delays or inhibits the lateral phase separation in charged vesicles compared with neutral vesicles, suggesting the transition of the phase-separation mechanism from spinodal decomposition to nucleation or homogeneous dispersion. Moreover, the electrostatic repulsion causes morphological changes, such as pore formation, and further transformations into disk, string, and bicelle structures, which are spatiotemporally coupled to the lateral segregation of charged lipids. Based on our coarse-grained MD simulation, we propose a plausible mechanism of pore formation at the molecular level. The pore formation in a charged-lipid-rich domain is initiated by the prior disturbance of the local molecular orientation in the domain.

本文言語English
論文番号042611
ジャーナルPhysical Review E
94
4
DOI
出版ステータスPublished - 2016 10 26

ASJC Scopus subject areas

  • 統計物理学および非線形物理学
  • 統計学および確率
  • 凝縮系物理学

フィンガープリント

「Coarse-grained molecular dynamics simulation of binary charged lipid membranes: Phase separation and morphological dynamics」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル