Awesome

tetranucleotides_data

This repository contains experimental data for AAAA, GACC, UUUU and CCCC tetranucleotides. Each folder contains scalar couplings, NOE distances as well as unobserved NOE distances.

Data are here conveniently reported as text files, but were measured and published in the following papers:

• Tubbs, J. D., Condon, D. E., Kennedy, S. D., Hauser, M., Bevilacqua, P. C., & Turner, D. H "The nuclear magnetic resonance of CCCC RNA reveals a right-handed helix, and revised parameters for AMBER force field torsions improve structural predictions from molecular dynamics." Biochemistry 52.6 (2013): 996-1010.

• Condon, D. E., Kennedy, S. D., Mort, B. C., Kierzek, R., Yildirim, I., & Turner, D. H. "Stacking in RNA: NMR of four tetramers benchmark molecular dynamics." Journal of chemical theory and computation 11.6 (2015): 2729-2742.

• Sandro Bottaro, Giovanni Bussi, Scott D. Kennedy, Douglas H. Turner, and Kresten Lindorff-Larsen. Conformational Ensemble of RNA Oligonucleotides from Reweighted Molecular Simulations