A conformational study of N-acetyl glucosamine derivatives utilizing residual dipolar couplings

► The conformational analysis of six flexible N-acetyl glucosamine derivatives is presented. ► Each structure was calculated employing MD simulations together with the PBC to consider solvent molecules. ► In order to prove the correctness of these calculations we used residual dipolar couplings and NOEs. ► The results were compared to that previously published and discussed.