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dc.contributor.authorGao, Xin
dc.contributor.authorNaveed, Hammad
dc.date.accessioned2016-09-19T10:36:08Z
dc.date.available2016-09-19T10:36:08Z
dc.date.issued2016-05-06
dc.date.submitted2014-11-13
dc.identifier.urihttp://hdl.handle.net/10754/620502
dc.description.abstractThe 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.
dc.relation.urlhttp://www.google.com/patents/WO2016067094A2
dc.relation.urlhttp://worldwide.espacenet.com/publicationDetails/biblio?CC=WO&NR=2016067094A2&KC=A2&FT=D
dc.titleMethods and systems for identifying ligand-protein binding sites
dc.typePatent
dc.contributor.departmentComputer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division
dc.description.statusPublished Application
dc.contributor.assigneeKing Abdullah University Of Science And Technology
dc.description.countryWorld Intellectual Property Organization (WIPO)
dc.identifier.applicationnumberWO 2016067094 A2
dc.identifier.applicationnumberWO2016067094A3
refterms.dateFOA2018-06-14T05:57:50Z


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