Structural Dynamics of Thrombin-Binding DNA Aptamer d(GGTTGGTGTGGTTGG) Quadruplex DNA Studied by Large-Scale Explicit Solvent Simulations

The thrombin-binding aptamer (15-TBA) is a 15-mer DNA oligonucleotide with sequence d(GGTTGGTGTGGTTGG). 15-TBA folds into a quadruplex DNA (G-DNA) structure with two planar G-quartets connected by three single-stranded loops. The arrangement of the 15-TBA-thrombin complex is unclear, particularly wi...

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Veröffentlicht in:Journal of chemical theory and computation 2010-10, Vol.6 (10), p.3003-3014
Hauptverfasser: Reshetnikov, Roman, Golovin, Andrey, Spiridonova, Vera, Kopylov, Alexei, Šponer, Jiří
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Sprache:eng
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