Type
PatentPatent Status
Published ApplicationAuthors
Gao, Xin
Naveed, Hammad

Date
2016-05-06Submitted Date
2014-11-13Permanent link to this record
http://hdl.handle.net/10754/620502
Metadata
Show full item recordAbstract
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 A2WO2016067094A3