Calculation of residual dipolar couplings from disordered state ensembles using local alignment.

  title={Calculation of residual dipolar couplings from disordered state ensembles using local alignment.},
  author={Joseph A. Marsh and Jennifer M Baker and Martin Tollinger and Julie Deborah Forman-Kay},
  journal={Journal of the American Chemical Society},
  volume={130 25},
Residual dipolar couplings (RDCs) have been observed in disordered states of several proteins. While their nonuniform values were initially surprising, it has been shown that reasonable approximation of experimental RDCs can be obtained using simple statistical coil models and assuming global alignment of each structure, provided that many thousands of conformers are averaged. Here we show that, by using short local alignment tensors, we can achieve good agreement between experimental and… 

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