Saiz Leonor, Bandyopadhyay Sanjoy, Klein Michael L
Center for Molecular Modeling and Chemistry Department, University of Pennsylvania, Philadelphia 19104-6323, USA.
Biosci Rep. 2002 Apr;22(2):151-73. doi: 10.1023/a:1020130420869.
Computer simulation has emerged as a powerful tool for studying the structural and functional properties of complex biological membranes. In the last few years, the use of recently developed simulation methodologies and current generation force fields has permitted novel applications of molecular dynamics simulations, which have enhanced our understanding of the different physical processes governing biomembrane structure and dynamics. This review focuses on frontier areas of research with important biomedical applications. We have paid special attention to polyunsaturated lipids, membrane proteins and ion channels, surfactant additives in membranes, and lipid-DNA gene transfer complexes.
计算机模拟已成为研究复杂生物膜结构和功能特性的强大工具。在过去几年中，使用最新开发的模拟方法和当代力场使得分子动力学模拟有了新的应用，这增进了我们对支配生物膜结构和动力学的不同物理过程的理解。本综述聚焦于具有重要生物医学应用的前沿研究领域。我们特别关注了多不饱和脂质、膜蛋白和离子通道、膜中的表面活性剂添加剂以及脂质 - DNA 基因转移复合物。
