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Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations

[Image: see text] We have carried out a series of extended unbiased molecular dynamics (MD) simulations (up to 10 μs long, ∼162 μs in total) complemented by replica-exchange with the collective variable tempering (RECT) approach for several human telomeric DNA G-quadruplex (GQ) topologies with TTA p...

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Detalles Bibliográficos
Autores principales:	Islam, Barira, Stadlbauer, Petr, Gil-Ley, Alejandro, Pérez-Hernández, Guillermo, Haider, Shozeb, Neidle, Stephen, Bussi, Giovanni, Banas, Pavel, Otyepka, Michal, Sponer, Jiri
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2017
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5514396/ https://www.ncbi.nlm.nih.gov/pubmed/28475322 http://dx.doi.org/10.1021/acs.jctc.7b00226

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