Telenius Jelena, Vattulainen Ilpo, Monticelli Luca
Department of Applied Physics, Helsinki University of Technology, Espoo, Finland.
Methods Mol Biol. 2009;580:317-38. doi: 10.1007/978-1-60761-325-1_18.
Computer simulation has become an increasingly popular tool in the study of lipid membranes, complementing experimental techniques by providing information on structure and dynamics at high spatial and temporal resolution. Molecular visualization is the most powerful way to represent the results of molecular simulations, and can be used to illustrate complex transformations of lipid aggregates more easily and more effectively than written text. In this chapter, we review some basic aspects of simulation methodologies commonly employed in the study of lipid membranes and we describe a few examples of complex phenomena that have been recently investigated using molecular simulations. We then explain how molecular visualization provides added value to computational work in the field of biological membranes, and we conclude by listing a few molecular graphics packages widely used in scientific publications.
计算机模拟已成为脂质膜研究中越来越受欢迎的工具，通过在高空间和时间分辨率下提供有关结构和动力学的信息来补充实验技术。分子可视化是呈现分子模拟结果的最有效方式，与书面文本相比，它能够更轻松、更有效地展示脂质聚集体的复杂转变。在本章中，我们回顾了脂质膜研究中常用模拟方法的一些基本方面，并描述了最近使用分子模拟研究的一些复杂现象的例子。然后，我们解释了分子可视化如何为生物膜领域的计算工作增添价值，最后列出了一些在科学出版物中广泛使用的分子图形软件包。
