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在剪切流中束缚 DNA 的数值模拟。

Numerical simulation of tethered DNA in shear flow.

机构信息

Institute of Aerodynamics, Technische Universität München, D-85747 Garching, Germany.

出版信息

J Phys Condens Matter. 2011 May 11;23(18):184118. doi: 10.1088/0953-8984/23/18/184118. Epub 2011 Apr 20.

Abstract

The behavior of tethered DNA in shear flow is investigated numerically by the smoothed dissipative particle dynamics (SDPD) method. Unlike numerical methods used in previous studies, SDPD models the solvent explicitly, takes into account the fully coupled hydrodynamic interactions and is free of the numerical artifact of wall sticking. Based on numerical simulations the static and dynamic properties of a tethered DNA is studied both qualitatively and quantitatively. The observed properties are in general agreement with previous experimental, numerical and theoretical work. Furthermore, the cyclic-motion phenomenon is studied by power spectrum density and cross-correlation function analysis, which suggest that there is only a very weak coherent motion of tethered DNA for a characteristic timescale larger than the relaxation time. Cyclic motion is more likely relevant as an isolated event than a typical mode of DNA motion.

摘要

通过平滑耗散粒子动力学(SDPD)方法对受约束 DNA 在剪切流中的行为进行了数值研究。与以前研究中使用的数值方法不同,SDPD 显式地模拟溶剂,考虑完全耦合的流体动力学相互作用,并且没有壁粘连的数值伪影。基于数值模拟,对受约束 DNA 的静态和动态特性进行了定性和定量研究。观察到的性质与以前的实验、数值和理论工作基本一致。此外,通过功率谱密度和互相关函数分析研究了循环运动现象,这表明在特征时间尺度大于弛豫时间的情况下,受约束 DNA 的相干运动非常微弱。循环运动更可能是一个孤立的事件,而不是 DNA 运动的典型模式。

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