Modes simulations of DNA denaturation dynamics
Modes simulations of DNA denaturation dynamics
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DOI：
10.1063/1.1329137
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发表时间：
2001-01-01
影响因子：
4.4
通讯作者：
Schatz, GC
中科院分区：
文献类型：
--
作者：
Drukker, K;Wu, GS;Schatz, GC
我们提出了一个用于计算机模拟的DNA模型，该模型足够简单，可以进行长时间的大规模动力学模拟，而另一方面，它足够复杂，可以描述双链和单链DNA以及两者之间的过渡。我们采用我们的简单模型在双链DNA螺旋变性的模拟使用Langevin动力学。这是第一次模拟这种DNA变性。我们研究了几种不同组成的短双链序列的解链行为。考虑了不同长度的双链体，并且研究中还包括碱基对错配。计算结果与实验数据吻合较好。(C)2001年美国物理学会。
We present a model of DNA for use in computer simulations; This model is simple enough to allow long-time large-scale dynamics simulations, while, on the other hand, it is sophisticated enough to describe both double stranded and single stranded DNA and the transition between the two. We employed our simple model in the simulation of denaturation of double stranded DNA helices using Langevin dynamics. These are the first simulations of its kind of DNA denaturation. We have studied the melting behavior for several short double-stranded sequences of different composition. Duplexes of different lengths were considered, and also base pair mismatches were included in the study. Results are in good agreement with experimental data. (C) 2001 American Institute of Physics.