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Force-induced unfolding of human telomeric G-quadruplex : a steered molecular dynamics simulation study

Force-induced unfolding of human telomeric G-quadruplex : a steered molecular dynamics simulation study

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LI, Hui, En-hua CAO, Thomas GISLER, 2009. Force-induced unfolding of human telomeric G-quadruplex : a steered molecular dynamics simulation study. In: Biochemical and Biophysical Research Communications. 379(1), pp. 70-75. Available under: doi: 10.1016/j.bbrc.2008.12.006

@article{Li2009Force-4850, title={Force-induced unfolding of human telomeric G-quadruplex : a steered molecular dynamics simulation study}, year={2009}, doi={10.1016/j.bbrc.2008.12.006}, number={1}, volume={379}, journal={Biochemical and Biophysical Research Communications}, pages={70--75}, author={Li, Hui and Cao, En-hua and Gisler, Thomas} }

<rdf:RDF xmlns:dcterms="http://purl.org/dc/terms/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:void="http://rdfs.org/ns/void#" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/4850"> <dc:rights>terms-of-use</dc:rights> <dc:creator>Li, Hui</dc:creator> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T14:50:48Z</dc:date> <dc:creator>Cao, En-hua</dc:creator> <bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/4850"/> <dc:language>eng</dc:language> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/41"/> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T14:50:48Z</dcterms:available> <dcterms:rights rdf:resource="https://rightsstatements.org/page/InC/1.0/"/> <dcterms:bibliographicCitation>First publ. in: Biochemical and Biophysical Research Communications 379 (2009), 1, pp. 70-75</dcterms:bibliographicCitation> <dcterms:abstract xml:lang="eng">We study the unfolding of a parallel G-quadruplex from human telomeric DNA by mechanical stretching using steered molecular dynamics (MD) simulation. We find that the force curves and unfolding processes strongly depend on the pulling sites. With pulling sites located on the sugar-phosphate backbone, the force-extension curve shows a single peak and the unfolding proceeds sequentially. Pulling sites located on the terminal nucleobases lead to a force-extension curve with two peaks and the unfolding is more cooperative. Simulations of the refolding of partially unfolded quadruplexes show very ifferent behavior for the two different pulling modalities. In particular, starting from an unfolded state prepared by nucleobase pulling leads to a long-lived intermediate state whose existence is also corroborated by the free energy profile computed with the Jarzynski equation. Based on this observation, we propose a novel folding pathway for parallel G-quadruplexes with the human telomere sequence.</dcterms:abstract> <dc:contributor>Gisler, Thomas</dc:contributor> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <dcterms:title>Force-induced unfolding of human telomeric G-quadruplex : a steered molecular dynamics simulation study</dcterms:title> <dc:contributor>Cao, En-hua</dc:contributor> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/52"/> <dc:creator>Gisler, Thomas</dc:creator> <dcterms:issued>2009</dcterms:issued> <dcterms:hasPart rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/4850/1/gisler_li_cao_2009.pdf"/> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/52"/> <dc:format>application/pdf</dc:format> <dc:contributor>Li, Hui</dc:contributor> <dspace:hasBitstream rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/4850/1/gisler_li_cao_2009.pdf"/> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/41"/> </rdf:Description> </rdf:RDF>

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