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dc.contributor.authorChakraborty, Debayanen
dc.contributor.authorWales, Daviden
dc.date.accessioned2017-02-27T11:55:40Z
dc.date.available2017-02-27T11:55:40Z
dc.date.issued2017-01-07en
dc.identifier.issn1463-9076
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/262785
dc.description.abstractThe complex conformational change from B-DNA to Z-DNA requires inversion of helix-handedness. Multiple degrees of freedom are intricately coupled during this transition, and formulating an appropriate reaction coordinate that captures the underlying complexity would be problematic. In this contribution, we adopt an alternative approach, based on the potential energy landscape perspective, to construct a kinetic transition network. Microscopic insight into the B → Z transition is provided in terms of geometrically defined discrete paths consisting of local minima and the transition states that connect them. We find that the inversion of handedness can occur via two competing mechanisms, either involving stretched intermediates, or a B-Z junction, in agreement with previous predictions. The organisation of the free energy landscape further suggests that this process is likely to be slow under physiological conditions. Our results represent a key step towards decoding the more intriguing features of the B → Z transition, such as the role of ionic strength and negative supercoiling in reshaping the landscape.
dc.description.sponsorshipThe work was financially supported by the ERC. D. C. gratefully acknowledges the Cambridge Commonwealth, European and International Trust for a PhD fellowship.
dc.languageengen
dc.language.isoenen
dc.publisherRoyal Society of Chemistry
dc.titleProbing helical transitions in a DNA duplexen
dc.typeArticle
prism.endingPage892
prism.issueIdentifier1en
prism.publicationDate2017en
prism.publicationNamePhysical Chemistry Chemical Physicsen
prism.startingPage878
prism.volume19en
dc.identifier.doi10.17863/CAM.8074
dcterms.dateAccepted2016-12-02en
rioxxterms.versionofrecord10.1039/c6cp06309hen
rioxxterms.versionAMen
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2017-01-07en
dc.contributor.orcidWales, David [0000-0002-3555-6645]
dc.identifier.eissn1463-9084
rioxxterms.typeJournal Article/Reviewen
cam.issuedOnline2016-12-02en
rioxxterms.freetoread.startdate2017-12-02


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