
%0 Journal Article
%A Coxon, Edward E. 
%A Coxon, James M. 
%A Boswell, D. Ross 
%T The Correlation of Carbohydrate Molecular Motion with N.O.E. Buildup Spectra.
%J Australian Journal of Chemistry
%D 1998/05/20
%V 51
%N 5
%P 397-402
%K 
%R https://doi.org/10.1071/C97131
%U https://www.publish.csiro.au/paper/C97131 
%X The rates of buildup of the n.O.e. (nuclear Overhauser effect) including the effects of conformational averaging, anisotropic tumbling and internal motion were calculated for methyl O-&#945;-L-fucopyranosyl-(1&rarr;2)-&#946;-D-galactopyranoside. This methodology is found to effectively distinguish between different computational models of carbohydrate solution behaviour, providing a new tool for the evaluation of molecular modelling predictions in solution. These studies support the MM2&#42; force field, continuum solvent treatment (GB/SA) and molecular dynamic (MD) integration, and reinforce the concept of flexibility about the glycosidic linkage. 
