Oligosaccharides, conformers

These results indicate that the random walk procedure is an efficient tool to improve the performance of the molecular mechanics methods and to provide a better description of oligosaccharide conformations. While Figures 3 and 4 illustrate the effects of changes in the pendant group orientations, in normal use the entire structure would be optimized after the random walk procedure had detennined low-energy positions for the pendant groups. 

Structure A was chosen to have (p ip values near those for the single minimum energy structure determined for globoside using Bock and Lemiuex s HSEA program (39,40). Structure B was chosen because it also has

previous studies of oligosaccharide conformation. Structure C was chosen to have ip values displaced 120° from the other initial structures. 

CONTENTS Introduction to the Series An Editor s Foreword, Albert Padwa. Preface, C. Allen Bush. Raman Spectroscopy of Nucleic Acids and Their Complexes. George J. Thomas, Jr. and Masamichi Tsuboi. Oligosaccharide Conformation in Pro-tein/Carbohydrate Complexes, Anne Imberty, Yves Bourne, Christian Cambillau and Serge Perez. Geometric Requirements of Proton Transfers, Steve Scheiner. Structural Dynamics of Calcium-Binding Proteins, Robert F. Steiner. Determination of the Chemical Structure of Complex Polysaccharides, C. Abeygunawardana and C. Allen Bush. Index. 

Oligosaccharide conformations depend not only on d>, but also on the aglyconic torsion angle (Fig. 2). 

S. W. Homans, Oligosaccharide conformations - appHcation of NMR and energy calculations. Prog. NMR Spec., 1990, 22, 55-81. 

Examples of several current classical mechanical approaches to determining the solution conformation of oligosaccharides are presented in the following sections. The synergistic interplay between experiment and theory is nowhere more essential than in the elucidation of oligosaccharide conformations, and some aspects of experimental methods and their limitations are referred to as necessary. 

Table 1 Computational Protocol for Oligosaccharide Conformational Analysis" Step...

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