Classification of RNA backbone conformations into rotamers using 13 C′ chemical shifts: exploring how far we can go
This article has been Reviewed by the following groups
Listed in
- Evaluated articles (PeerJ)
Abstract
The conformational space of the ribose-phosphate backbone is very complex as it is defined in terms of six torsional angles. To help delimit the RNA backbone conformational preferences, 46 rotamers have been defined in terms of these torsional angles. In the present work, we use the ribose experimental and theoretical 13 C′ chemical shifts data and machine learning methods to classify RNA backbone conformations into rotamers and families of rotamers. We show to what extent the experimental 13 C′ chemical shifts can be used to identify rotamers and discuss some problem with the theoretical computations of 13 C′ chemical shifts.
