Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F13%3A00068737" target="_blank" >RIV/00216224:14740/13:00068737 - isvavai.cz</a>
Alternative codes found
RIV/68081707:_____/13:00392697
Result on the web
<a href="http://nar.oxfordjournals.org/content/41/4/2723.long" target="_blank" >http://nar.oxfordjournals.org/content/41/4/2723.long</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1093/nar/gks1331" target="_blank" >10.1093/nar/gks1331</a>

Result language
angličtina
Original language name
Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale
Original language description
The human telomeric DNA sequence with four repeats can fold into a parallel-stranded propeller-type topology. NMR structures solved under molecular crowding experiments correlate with the crystal structures found with crystal-packing interactions that are effectively equivalent to molecular crowding. This topology has been used for rationalization of ligand design and occurs experimentally in a number of complexes with a diversity of ligands, at least in the crystalline state. Although G-quartet stems have been well characterized, the interactions of the TTA loop with the G-quartets are much less defined. To better understand the conformational variability and structural dynamics of the propeller-type topology, we performed molecular dynamics simulations in explicit solvent up to 1.5 mu s. The analysis provides a detailed atomistic account of the dynamic nature of the TTA loops highlighting their interactions with the G-quartets including formation of an A: A base pair, triad, pentad a
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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