In:
Australian Journal of Chemistry, CSIRO Publishing, Vol. 51, No. 5 ( 1998), p. 397-
Abstract:
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-α-L-fucopyranosyl-(1→2)-β-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* force field, continuum solvent treatment (GB/SA) and molecular dynamic (MD) integration, and
reinforce the concept of flexibility about the glycosidic linkage.
Type of Medium:
Online Resource
ISSN:
0004-9425
Language:
English
Publisher:
CSIRO Publishing
Publication Date:
1998
