Automated protein structure determination from NMR spectra.

  title={Automated protein structure determination from NMR spectra.},
  author={Blanca L{\'o}pez-M{\'e}ndez and Peter G{\"u}ntert},
  journal={Journal of the American Chemical Society},
  volume={128 40},
Fully automated structure determination of proteins in solution (FLYA) yields, without human intervention, three-dimensional protein structures starting from a set of multidimensional NMR spectra. Integrating existing and new software, automated peak picking over all spectra is followed by peak list filtering, the generation of an ensemble of initial chemical shift assignments, the determination of consensus chemical shift assignments for all (1)H, (13)C, and (15)N nuclei, the assignment of… CONTINUE READING

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