论文标题
DNA-Origami自组装的模拟揭示了设计依赖性成核屏障
Simulations of DNA-origami self-assembly reveal design-dependent nucleation barriers
论文作者
论文摘要
成核是许多自组装过程动力学的速率确定步骤。然而，尚不清楚核定在DNA-Origami自组装动力学中的重要性，涉及钉书钉的结合和脚手架链的折叠。在这里，使用DNA折纸晶格模型的蒙特卡洛模拟，我们发现某些但不是全部的设计可以具有成核屏障，并且该屏障在较低的温度下消失，从而使等温组装的成功合理化。我们表明，成核屏障的高度主要取决于在同一螺旋上相邻的钉书钉的同轴堆叠，该参数可以通过主食设计进行修改。创建DNA-Origami组装的成核屏障对于优化组装时间和产量可能是有用的，而消除屏障可能会允许快速分子传感器，这些传感器可以组装/拆卸，而不会响应环境变化而不会滞后。
Nucleation is the rate-determining step in the kinetics of many self-assembly processes. However, the importance of nucleation in the kinetics of DNA-origami self-assembly, which involves both the binding of staple strands and the folding of the scaffold strand, is unclear. Here, using Monte Carlo simulations of a lattice model of DNA origami, we find that some, but not all, designs can have a nucleation barrier and that this barrier disappears at lower temperatures, rationalizing the success of isothermal assembly. We show that the height of the nucleation barrier depends primarily on the coaxial stacking of staples that are adjacent on the same helix, a parameter that can be modified with staple design. Creating a nucleation barrier to DNA-origami assembly could be useful in optimizing assembly times and yields, while eliminating the barrier may allow for fast molecular sensors that can assemble/disassemble without hysteresis in response to changes in the environment.
