Hairpins participating in folding of human telomeric sequence quadruplexes studied by standard and T-REMD simulations

DNA G-hairpins are potential key structures participating in folding of human telomeric guanine quadruplexes (GQ). We examined their properties by standard MD simulations starting from the folded state and long T-REMD starting from the unfolded state, accumulating ∼130 μs of atomistic simulations. A...

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Bibliographic Details
Published in:Nucleic Acids Res
Main Authors: Stadlbauer, Petr, Kührová, Petra, Banáš, Pavel, Koča, Jaroslav, Bussi, Giovanni, Trantírek, Lukáš, Otyepka, Michal, Šponer, Jiří
Format: Artigo
Language:Inglês
Published: Oxford University Press 2015
Subjects:
Computational Biology
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4787745/
https://ncbi.nlm.nih.gov/pubmed/26433223
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkv994
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