论文标题

建模纳米孔中捆绑DNA结构的当前调制

Modeling the Current Modulation of Bundled DNA Structures in Nanopores

论文作者

Szuttor, Kai, Weik, Florian, Grad, Jean-Noël, Holm, Christian

论文摘要

我们研究了纳米孔中捆绑DNA纳米结构的盐依赖性电流调节。为此,我们为2x2折纸结构开发了四个仿真模型,详细程度升高:从平均场水平到DNA结构的全原子表示。我们观察到一致的孔电导率,这是所有四个模型的盐浓度的函数。但是,我们的数据与最近对类似系统的实验研究的比较显示出明显的偏差。我们讨论了差异的可能原因,并提出了向我们的模型进行扩展以进行未来调查的原因。

We investigate the salt-dependent current modulation of bundled DNA nanostructures in a nanopore. To this end, we developed four simulation models for a 2x2 origami structure with increasing level of detail: from the mean-field level to an all-atom representation of the DNA structure. We observe a consistent pore conductivity as a function of salt concentration for all four models. However, a comparison of our data to recent experimental investigations on similar systems displays significant deviations. We discuss possible reasons for the discrepancies and propose extensions to our models for future investigations.

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