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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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