Structure and energy of non-canonical basepairs: comparison of various computational chemistry methods with crystallographic ensembles.

@article{Panigrahi2011StructureAE,
  title={Structure and energy of non-canonical basepairs: comparison of various computational chemistry methods with crystallographic ensembles.},
  author={Swati Panigrahi and R. H. M. van der Pal and Dhananjay Bhattacharyya},
  journal={Journal of biomolecular structure & dynamics},
  year={2011},
  volume={29 3},
  pages={541-56}
}
Different types of non-canonical basepairs, in addition to the Watson-Crick ones, are observed quite frequently in RNA. Their importance in the three dimensional structure is not fully understood, but their various roles have been proposed by different groups. We have analyzed the energetics and geometry of 32 most frequently observed basepairs in the functional RNA crystal structures using different popular empirical, semi-empirical and ab initio quantum chemical methods and compared their… CONTINUE READING