论文标题
通过模拟和实验表征DNA t-motifs
Characterising DNA T-motifs by Simulation and Experiment
论文作者
论文摘要
DNA纳米技术的成功是由于发现具有广泛形状和用途的新型结构图案所驱动的。我们介绍了T-MOTIF的全面研究,T-MOTIF是一个3臂,平面,直角的连接,该连接已用于DNA Polyhedra和周期性结构的自组装中。图案是通过一个双链体中的凸起环的相互作用和另一个粘性端形成的。粘性端的极性对T-MOTIF的热力学和几何特性产生重大影响:不同的极性会产生跨越双链体的不同凹槽的连接。我们将实验结合强度与针对各种环尺寸的粗粒元素模型OxDNA进行了比较。我们发现,尽管两种粘性极性都可以创建稳定的连接,但是在5 $'$粘性端的连接处在较宽的凸起环尺寸范围内保持稳定。我们强调了基序内可能同轴堆叠相互作用的重要性,并研究了每个同轴堆叠相互作用如何稳定结构并有利于特定几何形状。
The success of DNA nanotechnology has been driven by the discovery of novel structural motifs with a wide range of shapes and uses. We present a comprehensive study of the T-motif, a 3-armed, planar, right-angled junction that has been used in the self-assembly of DNA polyhedra and periodic structures. The motif is formed through the interaction of a bulge loop in one duplex and a sticky end of another. The polarity of the sticky end has significant consequences for the thermodynamic and geometrical properties of the T-motif: different polarities create junctions spanning different grooves of the duplex. We compare experimental binding strengths with predictions of oxDNA, a coarse-grained model of DNA, for various loop sizes. We find that, although both sticky-end polarities can create stable junctions, junctions resulting from 5$'$ sticky ends are stable over a wider range of bulge loop sizes. We highlight the importance of possible coaxial stacking interactions within the motif and investigate how each coaxial stacking interaction stabilises the structure and favours a particular geometry.