On the interpretation of residual dipolar couplings as reporters of molecular dynamics.

Abstract

The analysis of residual dipolar couplings from an ensemble of conformations to extract molecular dynamics is intricate. The very mechanism that is necessary to perturb overall molecular tumbling to generate nonvanishing residual dipolar couplings gives rise to convoluted data. The measured values are essentially weighted averages over conformations… (More)

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@article{Fredriksson2004OnTI, title={On the interpretation of residual dipolar couplings as reporters of molecular dynamics.}, author={Kai Fredriksson and Martti Louhivuori and Perttu Permi and Arto Annila}, journal={Journal of the American Chemical Society}, year={2004}, volume={126 39}, pages={12646-50} }