de Vries Alex H, Yefimov Serge, Mark Alan E, Marrink Siewert J
Molecular Dynamics Group, Department of Biophysical Chemistry, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.
Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5392-6. doi: 10.1073/pnas.0408249102. Epub 2005 Apr 4.
Molecular dynamics simulations of lecithin lipid bilayers in water as they are cooled from the liquid crystalline phase show the spontaneous formation of rippled bilayers. The ripple consists of two domains of different length and orientation, connected by a kink. The organization of the lipids in one domain of the ripple is found to be that of a splayed gel; in the other domain the lipids are gel-like and fully interdigitated. In the concave part of the kink region between the domains the lipids are disordered. The results are consistent with the experimental information available and provide an atomic-level model that may be tested by further experiments.
对水中卵磷脂脂质双层从液晶相冷却过程进行的分子动力学模拟显示,会自发形成波纹状双层。这种波纹由两个长度和取向不同的区域组成,通过一个扭结相连。发现波纹一个区域内脂质的排列是伸展凝胶状;在另一个区域,脂质呈凝胶状且完全相互交错。在区域间扭结区域的凹面部分,脂质是无序的。这些结果与现有的实验信息一致,并提供了一个可通过进一步实验进行检验的原子水平模型。