Benchmarking AMBER Force Fields for RNA: Comparisons to NMR Spectra for Single-Stranded r(GACC) Are Improved by Revised χ Torsions

[Image: see text] Accurately modeling unpaired regions of RNA is important for predicting structure, dynamics, and thermodynamics of folded RNA. Comparisons between NMR data and molecular dynamics simulations provide a test of force fields used for modeling. Here, NMR spectroscopy, including NOESY,...

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Hauptverfasser: Yildirim, Ilyas, Stern, Harry A., Tubbs, Jason D., Kennedy, Scott D., Turner, Douglas H.
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2011
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3140773/
https://ncbi.nlm.nih.gov/pubmed/21721539
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp2016006
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