Mouritsen O G, Dammann B, Fogedby H C, Ipsen J H, Jeppesen C, Jørgensen K, Risbo J, Sabra M C, Sperotto M M, Zuckermann M J
Department of Physical Chemistry, The Technical University of Denmark, Building 206, DK-2800 Lyngby, Denmark.
Biophys Chem. 1995 Jun-Jul;55(1-2):55-68. doi: 10.1016/0301-4622(94)00142-7.
A mini-review is given of some recent advances in the use of computer-simulation approaches to the study of physico-chemical properties of lipid bilayers and biological membranes. The simulations are based on microscopic molecular interaction models as well as random-surface models of fluid membranes. Particular emphasis is put on those properties that are controlled by the many-particle character of the lamellar membrane, i.e. correlations and fluctuations in density, composition and large-scale conformational structure. It is discussed how dynamic membrane heterogeneity arises and how it is affected by various molecular species interacting with membranes, such as cholesterol, drugs, insecticides, as well as polypeptides and integral membrane proteins. The influence of bending rigidity and osmotic-pressure gradients on large-scale membrane conformation and topology is described.
本文对计算机模拟方法在脂质双层和生物膜物理化学性质研究中的一些最新进展进行了简要综述。这些模拟基于微观分子相互作用模型以及流体膜的随机表面模型。特别强调了由层状膜的多粒子特性所控制的那些性质，即密度、组成和大规模构象结构的相关性和涨落。文中讨论了动态膜异质性是如何产生的，以及它是如何受到与膜相互作用的各种分子种类的影响，如胆固醇、药物、杀虫剂以及多肽和整合膜蛋白。还描述了弯曲刚度和渗透压梯度对大规模膜构象和拓扑结构的影响。
