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    Methods and systems for identifying ligand-protein binding sites

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    WO2016067094A2.pdf
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    3.360Mb
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    Description:
    Published Application
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    Type
    Patent
    Patent Status
    Published Application
    Authors
    Gao, Xin cc
    Naveed, Hammad cc
    Assignee
    King Abdullah University Of Science And Technology
    KAUST Department
    Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division
    Date
    2016-05-06
    Submitted Date
    2014-11-13
    Permanent link to this record
    http://hdl.handle.net/10754/620502
    
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    Abstract
    The invention provides a novel integrated structure and system-based approach for drug target prediction that enables the large-scale discovery of new targets for existing drugs Novel computer-readable storage media and computer systems are also provided. Methods and systems of the invention use novel sequence order-independent structure alignment, hierarchical clustering, and probabilistic sequence similarity techniques to construct a probabilistic pocket ensemble (PPE) that captures even promiscuous structural features of different binding sites for a drug on known targets. The drug's PPE is combined with an approximation of the drug delivery profile to facilitate large-scale prediction of novel drug- protein interactions with several applications to biological research and drug development.
    Application Number
    WO 2016067094 A2
    WO2016067094A3
    Additional Links
    http://www.google.com/patents/WO2016067094A2
    http://worldwide.espacenet.com/publicationDetails/biblio?CC=WO&NR=2016067094A2&KC=A2&FT=D
    Collections
    Patents; Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division

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