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Updated: May 28, 2026

Stable DNA Motifs, 1D and 2D Nanostructures Constructed from Small Circular DNA Molecules
Published on: April 12, 2019
Stable conformations of a single stranded deprotonated DNA i-motif
Jens Smiatek1, Chun Chen, Dongsheng Liu
1Institut für Physikalische Chemie, Universität Münster, D-48149 Münster, Germany. jens.smiatek@uni-muenster.de
Abstract:
We present molecular dynamics simulations of a single stranded deprotonated DNA i-motif in explicit solvent. Our results indicate that hairpin structures are stable equilibrium conformations at 300 K. The entropic preference of these configurations is explained by strong water ordering effects due to the present number of hydrogen bonds. We observe a full unfolding at higher temperatures in good agreement with experimental results.
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