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Updated: Jun 15, 2026

Single-Molecule Real-Time Visualization of DNA Unwinding by CMG Helicase
Published on: September 27, 2024
Modeling hole transport in wet and dry DNA
Michele Pavanello1, Ludwik Adamowicz, Maksym Volobuyev
1Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona, USA. pavanell@email.arizona.edu
Abstract:
We present a DFT/classical molecular dynamics model of DNA charge conductivity. The model involves a temperature-driven, hole-hopping charge transfer and includes the time-dependent nonequilibrium interaction of DNA with its molecular environment. We validate our method against a variety of hole transport experiments. The method predicts a significant hole-transfer slowdown of approximately 35% from dry to wet DNA with and without electric field bias. In addition, in agreement with experiments, it also predicts an insulating behavior of (GC)(N) oligomers for 40 < N < 1000, depending on the experimental setup.
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