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RUBIDIUM, a program for computer-aided assignment of two-dimensional NMR spectra of polypeptides.

Taking advantage of the rule-based expert system technology, a program named RUBIDIUM (Rule-Based Identification In 2D NMR Spectrum) was developed to accomplish the automatic 1H NMR resonance assignments of polypeptides. Besides noise elimination and peak selection capabilities, RUBIDIUM detects the cross-peak patterns of amino acid residues in the COSY spectrum, assigning these patterns to amino acid types, performing sequential assignments using combined COSY/NOESY spectra, and finally, achieving the total assignment of the 1H NMR spectrum.[1]

References

  1. RUBIDIUM, a program for computer-aided assignment of two-dimensional NMR spectra of polypeptides. Yu, C., Hwang, J.F., Chen, T.B., Soo, V.W. Journal of chemical information and computer sciences. (1992) [Pubmed]
 
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