A geometrical parametrization of C1′-C5′ RNA ribose chemical shifts calculated by density functional theory

R Suardíaz, AB Sahakyan… - The Journal of Chemical …, 2013 - pubs.aip.org
It has been recently shown that NMR chemical shifts can be used to determine the structures
of proteins. In order to begin to extend this type of approach to nucleic acids, we present an
equation that relates the structural parameters and the 13 C chemical shifts of the ribose
group. The parameters in the equation were determined by maximizing the agreement
between the DFT-derived chemical shifts and those predicted through the equation for a
database of ribose structures. Our results indicate that this type of approach represents a …

A geometrical parametrization of C1′-C5′ RNA ribose chemical shifts calculated by density functional theory

R Suardíaz Delrío, AB Sahakyan, M Vendruscolo - 2013 - docta.ucm.es
It has been recently shown that NMR chemical shifts can be used to determine the structures
of proteins. In order to begin to extend this type of approach to nucleic acids, we present an
equation that relates the structural parameters and the 13C chemical shifts of the ribose
group. The parameters in the equation were determined by maximizing the agreement
between the DFT-derived chemical shifts and those predicted through the equation for a
database of ribose structures. Our results indicate that this type of approach represents a …
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