Enhanced sampling molecular dynamics simulations correctly predict the diverse activities of a series of stiff-stilbene G-quadruplex DNA ligands

Summary

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Authors: Michael P. O'Hagan, Susanta Haldar, Juan C. Morales, Adrian J. Mulholland, M. Carmen Galan

Journal title: Chemical Science

Journal number: 12/4

Journal publisher: Royal Society of Chemistry

Published year: 2021

Published pages: 1415-1426

DOI identifier: 10.1039/d0sc05223j

ISSN: 2041-6520