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Updated: May 30, 2026

Disentangling Glycan-Protein Interactions: Nuclear Magnetic Resonance (NMR) to the Rescue
Published on: May 17, 2024
A conformational study of N-acetyl glucosamine derivatives utilizing residual dipolar couplings
Markus Kramer1, Erich Kleinpeter
1University of Potsdam, Department of Chemistry, Karl-Liebknecht-Str. 24-25, 14476 Potsdam/Golm, Germany.
Abstract:
The conformational analyses of six non-rigid N-acetyl glucosamine (NAG) derivatives employing residual dipolar couplings (RDCs) and NOEs together with molecular dynamics (MD) simulations are presented. Due to internal dynamics we had to consider different conformer ratios existing in solution. The good quality of the correlation between theoretically and experimentally obtained RDCs show the correctness of the calculated conformers even if the ratios derived from the MD simulations do not exactly meet the experimental data. If possible, the results were compared to former published data and commented.
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