论文标题
计算杆状DNA纳米结构的弹性机械性能
Computing the elastic mechanical properties of rod-like DNA nanostructures
论文作者
论文摘要
为了研究棒状DNA纳米结构的弹性特性,我们使用OxDNA粗粒模型对这些结构进行了长时间的模拟。通过分析这些轨迹中的波动,我们获得了弯曲和扭曲持久性长度的估计值,以及它们之间的弯曲弯曲和扭曲弹性模量以及它们之间的耦合。只有长度尺度超出了与间距跨界之间间距相关的尺度,弯曲波动的行为就像蠕虫状链的波动。所获得的弯曲持久性长度远大于双链DNA的弯曲持久性长度,并且随着螺旋的数量非线性增加,而扭曲模量大约线性增加。对于我们数据中的数值误差,扭曲耦合常数为零。我们获得的弯曲持久性长度通常比实验中要高一些可能反映出模拟折纸没有组装缺陷,并且双链DNA的oxDNA伸展模量太大。
To study the elastic properties of rod-like DNA nanostructures, we perform long simulations of these structure using the oxDNA coarse-grained model. By analysing the fluctuations in these trajectories we obtain estimates of the bend and twist persistence lengths, and the underlying bend and twist elastic moduli and couplings between them. Only on length scales beyond those associated with the spacings between the interhelix crossovers do the bending fluctuations behave like those of a worm-like chain. The obtained bending persistence lengths are much larger than that for double-stranded DNA and increase non-linearly with the number of helices, whereas the twist moduli increase approximately linearly. To within the numerical error in our data, the twist-bend coupling constants are of order zero. That the bending persistence lengths we obtain are generally somewhat higher than in experiment probably reflects both that the simulated origami have no assembly defects and that the oxDNA extensional modulus for double-stranded DNA is too large.