Molecular structure refinement based on residual dipolar couplings using magnetic-field rotational sampling

<p>A method for structure refinement of molecules based on residual dipolar coupling (RDC) data is proposed. It calculates RDC values using magnetic-field rotational sampling of the rotational degrees of freedom of a molecule in conjunction with molecule-internal configurational sampling. By a...

Täydet tiedot

Bibliografiset tiedot
Päätekijät: Pechlaner, M, van Gunsteren, WF, Smith, LJ, Hansen, N
Aineistotyyppi: Journal article
Kieli:English
Julkaistu: AIP Publishing 2024