Molecular structure refinement based on residual dipolar couplings: a comparison of the molecular rotational-sampling method with the alignment-tensor approach

In NMR experiments, residual dipolar couplings (RDCs) in a molecule can be measured by averaging the dipolar couplings (DCs) over the rotational motion of a molecule in an environment that induces a slight anisotropic orientation distribution of the molecule. Since the shape of the anisotropic distr...

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Bibliographic Details
Main Authors: Pechlaner, M, van Gunsteren, WF, Smith, LJ, Stankiewicz, B, Wirz, LN, Hansen, N
Format: Journal article
Language:English
Published: American Chemical Society 2024