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

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dc.contributor.authorCorry, Ben
dc.contributor.authorSmith, Nicole
dc.date.accessioned2015-12-10T23:18:33Z
dc.date.issued2012
dc.date.updated2016-02-24T08:38:34Z
dc.description.abstractMolecular 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.
dc.identifier.issn1359-7345
dc.identifier.urihttp://hdl.handle.net/1885/65679
dc.publisherRoyal Society of Chemistry
dc.sourceChemical Communications
dc.subjectKeywords: acridine; adenine nucleotide; guanine quadruplex; thiophene; article; binding kinetics; binding site; chemical interaction; DNA structure; fluorescence resonance energy transfer; ligand binding; molecular dynamics; molecular model; simulation; structure a
dc.titleThe role of thermodynamics and kinetics in ligand binding to G-quadruplex DNA
dc.typeJournal article
local.bibliographicCitation.issue71
local.bibliographicCitation.lastpage8960
local.bibliographicCitation.startpage8958
local.contributor.affiliationCorry, Ben, College of Medicine, Biology and Environment, ANU
local.contributor.affiliationSmith, Nicole, College of Physical and Mathematical Sciences, ANU
local.contributor.authoremailu9719358@anu.edu.au
local.contributor.authoruidCorry, Ben, u9719358
local.contributor.authoruidSmith, Nicole, u5105705
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030505 - Physical Organic Chemistry
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.ariespublicationf5625xPUB1143
local.identifier.citationvolume48
local.identifier.doi10.1039/c2cc32240d
local.identifier.scopusID2-s2.0-84865031091
local.identifier.thomsonID000307300900028
local.identifier.uidSubmittedByf5625
local.type.statusPublished Version

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