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    Graphlet signature based scoringmethod to estimate protein ligand binding affinity

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    0341_Graphletsignature.pdf (780.6Kb)
    Date
    2014
    Author
    Singh, Omkar
    Sawariya, Kunal
    Aparoy, Polamarasetty
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    Abstract
    Over the years, various computational methodologies have been developed to understand and quantify receptor–ligand interactions. Protein–ligand interactions can also be explained in the form of a network and its properties. The ligand binding at the protein-active site is stabilized by formation of new interactions like hydrogen bond, hydrophobic and ionic. These non-covalent interactions when considered as links cause non-isomorphic sub-graphs in the residue interaction network. This study aims to investigate the relationship between these induced sub-graphs and ligand activity.
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    https://lib.hpu.edu.vn/handle/123456789/22303
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