论文标题

离子条件对DNA粗粒模型中打结的影响

Influence of ionic conditions on knotting in a coarse-grained model for DNA

论文作者

Wettermann, Sarah, Datta, Ranajay, Virnau, Peter

论文摘要

我们研究了用蒙特卡洛模拟的DNA的粗粒kratky-porod模型中长双链DNA链的打结概率。通过调整单体的有效直径来实现各种离子条件。我们发现,DNA中结的发生可以通过高盐条件和板之间的限制来大大加强。同样,结几乎可以完全溶解在低盐场景中。与最近的实验的比较证实,粗粒模型能够捕获和定量预测DNA的拓扑特征,可用于指导DNA结上的未来实验。

We investigate knotting probabilities of long double-stranded DNA strands in a coarse-grained Kratky-Porod model for DNA with Monte Carlo simulations. Various ionic conditions are implemented by adjusting the effective diameter of monomers. We find that the occurrence of knots in DNA can be reinforced considerably by high salt conditions and confinement between plates. Likewise, knots can almost be dissolved completely in a low salt scenario. Comparisons with recent experiments confirm that the coarse-grained model is able to capture and quantitatively predict topological features of DNA and can be used for guiding future experiments on DNA knots.

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