Triplex intermediates in folding of human telomeric quadruplexes probed by microsecond-scale molecular dynamics simulations

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F14%3A00074073" target="_blank" >RIV/00216224:14740/14:00074073 - isvavai.cz</a>

Alternative codes found

RIV/68081707:_____/14:00435963

Result on the web

<a href="http://www.sciencedirect.com/science/article/pii/S0300908414001874" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0300908414001874</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.biochi.2014.07.009" target="_blank" >10.1016/j.biochi.2014.07.009</a>

Result language

angličtina

Original language name

Triplex intermediates in folding of human telomeric quadruplexes probed by microsecond-scale molecular dynamics simulations

Original language description

We have carried out extended set of mu s-scale explicit solvent MD simulations of all possible G-triplexes which can participate in folding pathways of the human telomeric quadruplex. Our study accumulates almost 60 mu s of simulation data, which is by about three orders of magnitude larger sampling compared to the earlier simulations of human telomeric G-DNA triplexes. Starting structures were obtained from experimental quadruplex structures by deleting either the first or the last strand. The life-times of antiparallel triplexes with lateral and diagonal loops are at least on mu s-scale, which should be sufficient to contribute to the folding pathways. However, the triplex states may involve structures with various local deviations from the ideal triplexes, such as strand tilting and various alternative and incomplete triads. The simulations reveal easy rearrangements between lateral and diagonal loop triplex topologies.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CE - Biochemistry

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

2014

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Biochimie

ISSN

0300-9084

e-ISSN

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Volume of the periodical

105c

Issue of the periodical within the volume

October

Country of publishing house

FR - FRANCE

Number of pages

14

Pages from-to

22-35

UT code for WoS article

000343022400004

EID of the result in the Scopus database

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