Robust and highly accurate automatic NOESY assignment and structure determination with Rosetta.

@article{Zhang2014RobustAH,
  title={Robust and highly accurate automatic NOESY assignment and structure determination with Rosetta.},
  author={Zaiyong Zhang and Justin Matthew Porter and K Tripsianes and Oliver F. Lange},
  journal={Journal of biomolecular NMR},
  year={2014},
  volume={59 3},
  pages={135-45}
}
We have developed a novel and robust approach for automatic and unsupervised simultaneous nuclear Overhauser effect (NOE) assignment and structure determination within the CS-Rosetta framework. Starting from unassigned peak lists and chemical shift assignments, autoNOE-Rosetta determines NOE cross-peak assignments and generates structural models. The approach tolerates incomplete and raw NOE peak lists as well as incomplete or partially incorrect chemical shift assignments, and its performance… CONTINUE READING

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