Monte Carlo simulation of circular double-stranded polymers
Monte Carlo simulation of circular double-stranded polymers
复制标题
圆形双链聚合物的蒙特卡罗模拟
DOI：
10.1016/s0010-4655(02)00444-7
复制
发表时间：
2002
影响因子：
6.3
通讯作者：
A. Khokhlov
中科院分区：
文献类型：
--
作者：
Y. Velichko;K. Yoshikawa;A. Khokhlov
DNA的双螺旋结构为研究大分子的平衡性质提供了一个合适的模型体系。与线性聚合物模型相比，该模型不仅可以引入大部分相互作用参数，还可以引入二级结构。本文用计算机模拟的方法研究了双股扭转环状高分子链。着重讨论了高分子链的扭曲对高分子性能的影响。我们发现，双螺旋圈的数量影响的缩放的聚合物链和显着改变系统的性能，例如，线圈到球的转变温度。
Double-helix structure of DNA provides an appropriate model system for studying equilibrium properties of macromolecule. In contrast to the models of linear polymers, the secondary structure as well as most of interaction parameters can be introduced into the model. We present studies of double-stranded twisted circular polymer chain by mean of computer simulation. The attention was focused on the effect of polymer chain twisting on the properties of macromolecule. We found that the number of double helical turns affects the scaling of the polymer chain and markedly changes system properties, for example, coil to globule transition temperature.