抄録
A new method is proposed to estimate the bending rigidity of lipid membranes from molecular dynamics simulations. An external cylindrical guiding potential is used to impose a sinusoidal deformation to a planar membrane. The bending rigidity is obtained from the mean force acting on the cylinder by calibrating against a discretized Helfrich model that accounts for thermal fluctuations of the membrane surface. The method has been successfully applied to a dimyristoyl phosphatidylcholine bilayer simulated with a coarse-grained model. A well-converged bending rigidity was obtained for the tension-free membrane and showed reasonable agreement with that obtained from the height fluctuation spectrum.
| 本文言語 | English |
|---|---|
| 論文番号 | 034108 |
| ジャーナル | Journal of Chemical Physics |
| 巻 | 139 |
| 号 | 3 |
| DOI | |
| 出版ステータス | Published - 7月 21 2013 |
| 外部発表 | はい |
ASJC Scopus subject areas
- 物理学および天文学（全般）
- 物理化学および理論化学