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    Docking of carbohydrates into protein binding sites

    Access Status
    Fulltext not available
    Authors
    Agostino, Mark
    Ramsland, Paul
    Yuriev, E.
    Date
    2012
    Type
    Book Chapter
    
    Metadata
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    Citation
    Agostino, M. and Ramsland, P. and Yuriev, E. 2012. Docking of carbohydrates into protein binding sites, in Yuriev, E. and Ramsland, P. (ed), Structural Glycobiology, pp. 111-140. Boca Raton: CRC Press.
    Source Title
    Structural Glycobiology
    ISBN
    9781439854600
    School
    School of Biomedical Sciences
    URI
    http://hdl.handle.net/20.500.11937/34332
    Collection
    • Curtin Research Publications
    Abstract

    Structures of protein–carbohydrate complexes can be investigated experimentally by x-ray crystallography or nuclear magnetic resonance (NMR) (Chapters 1 and 2). However, the crystallization of these complexes is often complicated by the inherent flexibility of carbohydrates, whereas NMR is more appropriate for the determination of conformation of bound carbohydrates rather than the nature of the interactions occurring with a protein. Computational molecular modeling techniques offer attractive alternatives for the study of protein–carbohydrate interactions. These techniques have been widely used in conformational studies of carbohydrates, as well as in the investigation of carbohydrate–protein recognition. Notably, molecular dock¬ing can provide insight into protein–ligand interactions in systems that are difficult to study experimentally.

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