Molecular Mechanics Modeling of α-(1→2)-, α-(1→3)-, and α-(1→6)-Linked Mannosyl Disaccharides with MM3(92)1
作者:
MichaelK. Dowd,
AlfredD. French,
PeterJ. Reilly,
期刊:
Journal of Carbohydrate Chemistry
(Taylor Available online 1995)
卷期:
Volume 14,
issue 4-5
页码: 589-600
ISSN:0732-8303
年代: 1995
DOI:10.1080/07328309508005360
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
MM3(92) was used to study the conformational flexibility of α-(1→2), α-(1→3), and α-(1→6)-linked mannosyl dimers. Mannosyl rings were allowed to relax, and several sets ofexo-cyclic orientations were included in the study. Two- and three-dimensional Ramachandran energy representations are similar to those for glucosyl dimers with related linkages. Crystal structures lie in low-energy regions of the maps near local minima. Our results are compared with those presented earlier based on other modeling methods.
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