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• W847647448 abstract "The Biological Magnetic Resonance Data Bank (BMRB) contains NMR chemical shift depositions for over 200 RNAs and RNA-containing complexes. We have analyzed the (1)H NMR and (13)C chemical shifts reported for non-exchangeable protons of 187 of these RNAs. Software was developed that downloads BMRB datasets and corresponding PDB structure files, and then generates residue-specific attributes based on the calculated secondary structure. Attributes represent properties present in each sequential stretch of five adjacent residues and include variables such as nucleotide type, base-pair presence and type, and tetraloop types. Attributes and (1)H and (13)C NMR chemical shifts of the central nucleotide are then used as input to train a predictive model using support vector regression. These models can then be used to predict shifts for new sequences. The new software tools, available as stand-alone scripts or integrated into the NMR visualization and analysis program NMRViewJ, should facilitate NMR assignment and/or validation of RNA (1)H and (13)C chemical shifts. In addition, our findings enabled the re-calibration a ring-current shift model using published NMR chemical shifts and high-resolution X-ray structural data as guides." @default.
• W847647448 created "2016-06-24" @default.
• W847647448 creator A5002027818 @default.
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• W847647448 date "2015-07-04" @default.
• W847647448 modified "2023-10-15" @default.
• W847647448 title "Prediction of hydrogen and carbon chemical shifts from RNA using database mining and support vector regression" @default.
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• W847647448 doi "https://doi.org/10.1007/s10858-015-9961-4" @default.
• W847647448 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4669054" @default.
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