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Stacking in RNA: NMR of Four Tetramers Benchmark Molecular Dynamics

[Image: see text] Molecular dynamics (MD) simulations for RNA tetramers r(AAAA), r(CAAU), r(GACC), and r(UUUU) are benchmarked against (1)H–(1)H NOESY distances and (3)J scalar couplings to test effects of RNA torsion parametrizations. Four different starting structures were used for r(AAAA), r(CAAU...

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Dettagli Bibliografici
Pubblicato in:J Chem Theory Comput
Autori principali: Condon, David E., Kennedy, Scott D., Mort, Brendan C., Kierzek, Ryszard, Yildirim, Ilyas, Turner, Douglas H.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2015
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4463549/
https://ncbi.nlm.nih.gov/pubmed/26082675
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct501025q
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