Coarse-graining DNA for simulations of DNA nanotechnology
Coarse-graining DNA for simulations of DNA nanotechnology
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DOI：
10.1039/c3cp53545b
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发表时间：
2013-01-01
影响因子：
3.3
通讯作者：
Smith, William P. J.
中科院分区：
文献类型：
--
作者：
Doye, Jonathan P. K.;Ouldridge, Thomas E.;Smith, William P. J.
为了模拟涉及DNA的长时间和长度尺度过程，有必要使用粗粒度的描述。在这里，我们提供了一个不同的方法，这样的粗粒化的概述，专注于那些在核苷酸水平上，允许与DNA纳米技术相关的自组装过程进行研究。OxDNA，我们最近开发的粗粒度DNA模型，特别适合于这一任务，并开辟了这一领域的系统研究模拟。我们说明了一些范围的DNA纳米技术系统的模型正在应用，以及它可以提供到DNA的基本生物物理特性的见解。
To simulate long time and length scale processes involving DNA it is necessary to use a coarse-grained description. Here we provide an overview of different approaches to such coarse-graining, focussing on those at the nucleotide level that allow the self-assembly processes associated with DNA nanotechnology to be studied. OxDNA, our recently-developed coarse-grained DNA model, is particularly suited to this task, and has opened up this field to systematic study by simulations. We illustrate some of the range of DNA nanotechnology systems to which the model is being applied, as well as the insights it can provide into fundamental biophysical properties of DNA.