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The role of thermodynamics and kinetics in ligand binding to G-quadruplex DNA

Corry, Ben; Smith, Nicole


Molecular dynamics simulations were used to investigate the binding of four different 2,4,6-triarylpyridines to G-quadruplex DNA. Both the binding free energies, and the kinetics of binding are required to explain the measured degree of ligand induced stabilisation of the compounds, with bulky substituents having the potential to prevent the ligand from reaching the lowest energy binding site.

CollectionsANU Research Publications
Date published: 2012
Type: Journal article
Source: Chemical Communications
DOI: 10.1039/c2cc32240d


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