Pasenkiewicz-Gierula Marta, Baczynski Krzysztof, Markiewicz Michal, Murzyn Krzysztof
Department of Computational Biophysics and Bioinformatics, Faculty of Biochemistry, Biophysics and Biotechnology, Jagiellonian University, Krakow, Poland.
Department of Computational Biophysics and Bioinformatics, Faculty of Biochemistry, Biophysics and Biotechnology, Jagiellonian University, Krakow, Poland.
Biochim Biophys Acta. 2016 Oct;1858(10):2305-2321. doi: 10.1016/j.bbamem.2016.01.024. Epub 2016 Jan 26.
This review summarises high resolution studies on the interface of lamellar lipid bilayers composed of the most typical lipid molecules which constitute the lipid matrix of biomembranes. The presented results were obtained predominantly by computer modelling methods. Whenever possible, the results were compared with experimental results obtained for similar systems. The first and main section of the review is concerned with the bilayer-water interface and is divided into four subsections. The first describes the simplest case, where the interface consists only of lipid head groups and water molecules and focuses on interactions between the lipid heads and water molecules; the second describes the interface containing also mono- and divalent ions and concentrates on lipid-ion interactions; the third describes direct inter-lipid interactions. These three subsections are followed by a discussion on the network of direct and indirect inter-lipid interactions at the bilayer interface. The second section summarises recent computer simulation studies on the interactions of antibacterial membrane active compounds with various models of the bacterial outer membrane. This article is part of a Special Issue entitled: Biosimulations edited by Ilpo Vattulainen and Tomasz Róg.
本综述总结了关于由构成生物膜脂质基质的最典型脂质分子组成的层状脂质双层界面的高分辨率研究。呈现的结果主要通过计算机建模方法获得。只要有可能，就将结果与类似系统的实验结果进行比较。综述的第一部分也是主要部分涉及双层 - 水界面，分为四个小节。第一节描述最简单的情况，即界面仅由脂质头部基团和水分子组成，并着重于脂质头部与水分子之间的相互作用；第二节描述还包含单价和二价离子的界面，并专注于脂质 - 离子相互作用；第三节描述脂质间的直接相互作用。这三个小节之后是关于双层界面处脂质间直接和间接相互作用网络的讨论。第二部分总结了最近关于抗菌膜活性化合物与各种细菌外膜模型相互作用的计算机模拟研究。本文是由伊尔波·瓦图莱宁（Ilpo Vattulainen）和托马什·罗格（Tomasz Róg）编辑的名为《生物模拟》的特刊的一部分。
