Cooke Ira R, Kremer Kurt, Deserno Markus
Max-Planck-Institut für Polymerforschung, Mainz, Germany.
Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Jul;72(1 Pt 1):011506. doi: 10.1103/PhysRevE.72.011506. Epub 2005 Jul 26.
We present a model for the efficient simulation of generic bilayer membranes. Individual lipids are represented by one head bead and two tail beads. By means of simple pair potentials these robustly self-assemble to a fluid bilayer state over a wide range of parameters, without the need for an explicit solvent. The model shows the expected elastic behavior on large length scales, and its physical properties (e.g., fluidity or bending stiffness) can be widely tuned via a single parameter. In particular, bending rigidities in the experimentally relevant range are obtained, at least within 3-30 k(B) T. The model is naturally suited to study many physical topics, including self-assembly, fusion, bilayer melting, lipid mixtures, rafts, and protein-bilayer interactions.
我们提出了一种用于高效模拟通用双层膜的模型。单个脂质由一个头部珠子和两个尾部珠子表示。通过简单的对势,这些脂质在很宽的参数范围内能稳健地自组装成流体双层状态,无需明确的溶剂。该模型在大长度尺度上表现出预期的弹性行为,并且其物理性质(例如流动性或弯曲刚度)可以通过单个参数进行广泛调整。特别是,至少在3 - 30k(B)T范围内可获得实验相关范围内的弯曲刚度。该模型自然适用于研究许多物理主题,包括自组装、融合、双层膜熔化、脂质混合物、筏以及蛋白质 - 双层膜相互作用。