CLOUDS, a protocol for deriving a molecular proton density via NMR.

  title={CLOUDS, a protocol for deriving a molecular proton density via NMR.},
  author={Alexander Grishaev and Miguel Llin{\'a}s},
  journal={Proceedings of the National Academy of Sciences of the United States of America},
  volume={99 10},
We demonstrate the feasibility of computing realistic spatial proton distributions for proteins in solution from experimental NMR nuclear Overhauser effect data only and with minimal assignments. The method, CLOUDS, relies on precise and abundant interproton distance restraints calculated via a relaxation matrix analysis of sets of experimental nuclear Overhauser effect spectroscopy crosspeaks. The MIDGE protocol was adapted for this purpose. A gas of unassigned, unconnected H atoms is… CONTINUE READING


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