Cuesta-López S, Errami J, Falo F, Peyrard M
Dept. Física de la Materia Condensada, Universidad de Zaragoza, c/Pedro Cerbuna s/n 50009 Zaragoza, Spain ; Laboratoire de Physique, Ecole Normale Supérieure de Lyon, 46 allée d'Iltalie, 69364 Lyon cedex 07, France ; Instituto de Biocomputación y Física de Sistemas Complejos, Universidad de Zaragoza, Spain.
J Biol Phys. 2005 Dec;31(3-4):273-301. doi: 10.1007/s10867-005-3244-3.
Modelling DNA is useful for understanding its properties better but it is also challenging because many of these properties involve hundreds of base pairs or more, or time scales which are much longer than the time scales accessible to molecular dynamics. It is therefore necessary to develop models at a mesoscale, which include enough details to describe the properties of interest, for instance the biological sequence, while staying sufficiently simple and realistic.We discuss here two examples: a dynamical model to study the mechanical denaturation of DNA, which probes the sequence on various scales, and a model for the self assembly of DNA which describes the formation of hairpins and allows us to study its kinetics.
构建DNA模型有助于更好地理解其特性,但也具有挑战性,因为其中许多特性涉及数百个或更多碱基对,或者时间尺度比分子动力学可及的时间尺度长得多。因此,有必要在中尺度上开发模型,这些模型要包含足够的细节来描述感兴趣的特性,比如生物序列,同时又要保持足够简单和现实。我们在此讨论两个例子:一个用于研究DNA机械变性的动力学模型,它在各种尺度上探测序列;还有一个DNA自组装模型,它描述发夹的形成并让我们能够研究其动力学。