
TY  - JOUR
A1  - Coxon, Edward E. 
A1  - Coxon, James M. 
A1  - Boswell, D. Ross 
T1  - The Correlation of Carbohydrate Molecular Motion with N.O.E. Buildup Spectra.
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1998
VL  - 51
IS  - 5
SP  - 397
EP  - 402
KW  - 
UR  - https://doi.org/10.1071/C97131 
N2  - 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. 
ER  -

