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Rowell KN, Thomas DS, Ball GE, et al. Molecular dynamic simulations of diacridine binding to DNA: Indications that C6 diacridine can bisintercalate spanning two base pairs. Biopolymers. 2020;112(4):e23409doi: 10.1002/bip.23409.
Rowell, K. N., Thomas, D. S., Ball, G. E., & Wakelin, L. P. G. (2021). Molecular dynamic simulations of diacridine binding to DNA: Indications that C6 diacridine can bisintercalate spanning two base pairs. Biopolymers, 112(4), e23409. https://doi.org/10.1002/bip.23409
Rowell, Keiran N, et al. "Molecular dynamic simulations of diacridine binding to DNA: Indications that C6 diacridine can bisintercalate spanning two base pairs." Biopolymers vol. 112,4 (2021): e23409. doi: https://doi.org/10.1002/bip.23409
Rowell KN, Thomas DS, Ball GE, Wakelin LPG. Molecular dynamic simulations of diacridine binding to DNA: Indications that C6 diacridine can bisintercalate spanning two base pairs. Biopolymers. 2021 Apr;112(4):e23409. doi: 10.1002/bip.23409. Epub 2020 Nov 18. PMID: 33207389.
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Biopolymers. 2021 Apr;112(4):e23409. doi: 10.1002/bip.23409. Epub 2020 Nov 18.

Molecular dynamic simulations of diacridine binding to DNA: Indications that C6 diacridine can bisintercalate spanning two base pairs.

Biopolymers

Keiran N Rowell, Donald S Thomas, Graham E Ball, Laurence P G Wakelin

Affiliations

  1. School of Chemistry, UNSW Sydney, Sydney, New South Wales, Australia.
  2. NMR Facility, Mark Wainwright Analytical Centre, UNSW Sydney, Sydney, New South Wales, Australia.

PMID: 33207389 DOI: 10.1002/bip.23409

Abstract

Dimers of 9-aminoacridine linked via the 9-amino group with polymethylene chains, termed diacridines, are known to bisintercalate into DNA when the linker comprises 6 or more methylene units. There are no literature reports of crystal or NMR solution structures for bisintercalated diacridine-DNA complexes, and the issue of the structure of the C6 ([CH

© 2020 Wiley Periodicals LLC.

Keywords: 9-aminoacridine; DNA binding; bisintercalation; diacridine; molecular dynamics; neighbor exclusion

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