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Wiley, Angewandte Chemie International Edition, 8(52), p. 2269-2273, 2013
Wiley, Angewandte Chemie, 8(125), p. 2325-2329, 2013
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The g-triplex DNA
Journal article published in 2013 by
Vittorio Limongelli,
Stefano De Tito,
Linda Cerofolini 
,
Marco Fragai ,
Bruno Pagano,
Roberta Trotta,
Sandro Cosconati ,
Luciana Marinelli,
Ettore Novellino,
Ivano Bertini,
Antonio Randazzo,
Claudio Luchinat ,
Michele Parrinello
,
Marco Fragai ,
Bruno Pagano,
Roberta Trotta,
Sandro Cosconati ,
Luciana Marinelli,
Ettore Novellino,
Ivano Bertini,
Antonio Randazzo,
Claudio Luchinat ,
Michele Parrinello
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Abstract
Triplex with a twist: Through metadynamics calculations, the thrombin binding aptamer (TBA) has been shown to adopt a stable G-triplex structural motif, in addition to the usual G-quadruplex. An 11-mer oligonucleotide was also shown to form a stable G-triplex, whose structural and thermodynamic properties have been characterized.