CC Bioinformatics, University of Applied Sciences Stralsund, Stralsund, Germany.
Biophys J. 2012 Jul 18;103(2):323-30. doi: 10.1016/j.bpj.2012.05.050. Epub 2012 Jul 17.
The wormlike-chain (WLC) model is widely used to describe the energetics of DNA bending. Motivated by recent experiments, alternative, so-called subelastic chain models were proposed that predict a lower elastic energy of highly bent DNA conformations. Until now, no unambiguous verification of these models has been obtained because probing the elasticity of DNA on short length scales remains challenging. Here we investigate the limits of the WLC model using coarse-grained Monte Carlo simulations to model the supercoiling of linear DNA molecules under tension. At a critical supercoiling density, the DNA extension decreases abruptly due to the sudden formation of a plectonemic structure. This buckling transition is caused by the large energy required to form the tightly bent end-loop of the plectoneme and should therefore provide a sensitive benchmark for model evaluation. Although simulations based on the WLC energetics could quantitatively reproduce the buckling measured in magnetic tweezers experiments, the buckling almost disappears for the tested linear subelastic chain model. Thus, our data support the validity of a harmonic bending potential even for small bending radii down to 3.5 nm.
蠕虫链(WLC)模型被广泛用于描述 DNA 弯曲的能量学。受最近实验的启发,提出了替代的、所谓的亚弹性链模型,这些模型预测高度弯曲的 DNA 构象具有更低的弹性能量。到目前为止,还没有得到这些模型的明确验证,因为在短尺度上探测 DNA 的弹性仍然具有挑战性。在这里,我们使用粗粒度的蒙特卡罗模拟来研究 WLC 模型的极限,以模拟张力下线性 DNA 分子的超螺旋。在一个临界超螺旋密度下,由于 plectonemic 结构的突然形成,DNA 延伸突然减少。这种屈曲转变是由形成 plectoneme 紧密弯曲的末端环所需的大量能量引起的,因此应该为模型评估提供一个敏感的基准。尽管基于 WLC 能量学的模拟可以定量重现磁镊实验中测量到的屈曲,但对于测试的线性亚弹性链模型,屈曲几乎消失了。因此,我们的数据支持甚至对于小弯曲半径(低至 3.5nm)的弯曲,也支持谐波弯曲势能的有效性。