Bennun Sandra V, Hoopes Matthew I, Xing Chenyue, Faller Roland
Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
Chem Phys Lipids. 2009 Jun;159(2):59-66. doi: 10.1016/j.chemphyslip.2009.03.003. Epub 2009 Apr 2.
Molecular modeling of phospholipids on many scales has progressed significantly over the last years. Here we review several membrane models on intermediate to large length scales restricting ourselves to particle based coarse-grained models with implicit and explicit solvent. We explain similarities and differences as well as their connection to experiments and fine-grained models. We neglect any field descriptions on larger scales. We discuss then a few examples where we focus on studies of lipid phase behavior as well as supported lipid bilayers as these examples can only be meaningfully studied using large-scale models to date.
在过去几年中,磷脂在多个尺度上的分子建模取得了显著进展。在这里,我们回顾了几种从中等长度尺度到较大长度尺度的膜模型,我们将自己限制在具有隐式和显式溶剂的基于粒子的粗粒度模型上。我们解释了它们的异同以及它们与实验和细粒度模型的联系。我们忽略了更大尺度上的任何场描述。然后,我们讨论了一些例子,在这些例子中,我们专注于脂质相行为以及支撑脂质双层的研究,因为到目前为止,这些例子只能使用大规模模型进行有意义的研究。