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Imino Hydrogen Positions in Nucleic Acids from Density Functional Theory Validated by NMR Residual Dipolar Couplings

[Image: see text] Hydrogen atom positions of nucleotide bases in RNA structures solved by X-ray crystallography are commonly derived from heavy-atom coordinates by assuming idealized geometries. In particular, N1–H1 vectors in G and N3–H3 vectors in U are commonly positioned to coincide with the bis...

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Autors principals: Grishaev, Alexander, Ying, Jinfa, Bax, Ad
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2012
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3337690/
https://ncbi.nlm.nih.gov/pubmed/22489834
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja301775j
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