Počet záznamů: 1
Triplex intermediates in folding of human telomeric quadruplexes probed by microsecond-scale molecular dynamics simulations
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SYSNO ASEP 0435963 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Triplex intermediates in folding of human telomeric quadruplexes probed by microsecond-scale molecular dynamics simulations Tvůrce(i) Stadlbauer, Petr (BFU-R) ORCID
Trantírek, L. (CZ)
Cheatham III, T. E. (US)
Koča, J. (CZ)
Šponer, Jiří (BFU-R) RID, ORCIDCelkový počet autorů 5 Zdroj.dok. Biochimie. - : Elsevier - ISSN 0300-9084
105C, OCT2014 (2014), s. 22-35Poč.str. 14 s. Forma vydání Tištěná - P Jazyk dok. eng - angličtina Země vyd. FR - Francie Klíč. slova G-DNA folding ; Quadruplex ; Triplex Vědní obor RIV BO - Biofyzika CEP GAP208/12/1822 GA ČR - Grantová agentura ČR GA13-28310S GA ČR - Grantová agentura ČR Institucionální podpora BFU-R - RVO:68081707 UT WOS 000343022400004 DOI 10.1016/j.biochi.2014.07.009 Anotace 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. Pracoviště Biofyzikální ústav Kontakt Jana Poláková, polakova@ibp.cz, Tel.: 541 517 244 Rok sběru 2015
Počet záznamů: 1