Role of Hoogsteen interaction in the stability of different phases of triplex DNA.

Pal, Tanmoy; Chauhan, Keerti; Kumar, Sanjay · Phys Rev E · 2022

basic_science · Level V

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Abstract

A simple coarse-grained model of DNA which includes both Watson-Crick and Hoogsteen base pairing has been used to study the melting and unzipping of triplex DNA. Using Langevin dynamics simulations, we reproduce the qualitative features of one-step and two-step thermal melting of triplex as seen in experiments. The thermal melting phase diagram shows the existence of a stable interchain three-strand complex (bubble-bound state). Our studies based on the mechanical unzipping of a triplex revealed that it is mechanically more stable compared to an isolated duplex-DNA.

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