Pal Tanmoy, Chauhan Keerti, Kumar Sanjay
Banaras Hindu University, Varanasi 221005, India.
Phys Rev E. 2022 Apr;105(4-1):044407. doi: 10.1103/PhysRevE.105.044407.
A simple coarse-grained model of DNA which includes both Watson-Crick and Hoogsteen base pairing has been used to study the melting and unzipping of triplex DNA. Using Langevin dynamics simulations, we reproduce the qualitative features of one-step and two-step thermal melting of triplex as seen in experiments. The thermal melting phase diagram shows the existence of a stable interchain three-strand complex (bubble-bound state). Our studies based on the mechanical unzipping of a triplex revealed that it is mechanically more stable compared to an isolated duplex-DNA.
我们使用包含沃森-克里克和霍格斯坦碱基配对的简单粗粒 DNA 模型来研究三聚体 DNA 的融解和解旋。通过朗之万动力学模拟，我们再现了实验中观察到的三聚体一步和两步热融解的定性特征。热融解相图显示存在稳定的链间三链复合物（泡束缚态）。我们基于三聚体机械解旋的研究表明，与孤立的双链-DNA 相比，它在机械上更稳定。
