Modeling the current modulation of bundled DNA structures in nanopores

J Chem Phys. 2021 Feb 7;154(5):054901. doi: 10.1063/5.0038530.

Abstract

We investigate the salt-dependent current modulation of bundled DNA nanostructures in a nanopore. To this end, we developed four simulation models for a 2 × 2 origami structure with increasing level of detail ranging 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.

MeSH terms

  • DNA / chemistry*
  • Nanopores*
  • Nucleic Acid Conformation

Substances

  • DNA