Multi-conformational peptide dynamics derived from NMR data: a new search algorithm and its application to antamanide.

@article{Brschweiler1991MulticonformationalPD,
  title={Multi-conformational peptide dynamics derived from NMR data: a new search algorithm and its application to antamanide.},
  author={R. Br{\"u}schweiler and Martin Blackledge and Richard R. Ernst},
  journal={Journal of biomolecular NMR},
  year={1991},
  volume={1 1},
  pages={
          3-11
        }
}
A search algorithm, called MEDUSA, is presented which allows the determination of multiple conformations of biomolecules in solution with exchange rate constants typically between 10(3) and 10(7) s-1 on the basis of experimental high-resolution NMR data. Multiples of structures are generated which are consistent as ensembles with NMR cross-relaxation rates (NOESY, ROESY), scalar J-coupling constants, and T1 rho measurements. The algorithm is applied to the cyclic decapeptide antamanide… CONTINUE READING
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