The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.
The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.
Patent No.:
Date of Patent:
Aug. 06, 2013
Filed:
Feb. 03, 2012
Keith Lewis Constantine, Langhorne, PA (US);
Brian Lee Claus, Lambertville, NJ (US);
Malcolm Evan Davis, Lambertville, NJ (US);
William Joseph Metzler, Doylestown, PA (US);
Luciano Mueller, Princeton, NJ (US);
Keith Lewis Constantine, Langhorne, PA (US);
Brian Lee Claus, Lambertville, NJ (US);
Malcolm Evan Davis, Lambertville, NJ (US);
William Joseph Metzler, Doylestown, PA (US);
Luciano Mueller, Princeton, NJ (US);
Bristol-Myers Squibb Company, Princeton, NJ (US);
Abstract
A method of enhancing the throughput and applicability of NMR-based structure determination of protein-ligand complexes is disclosed. The method circumvents the need for protein sequence-specific resonance assignments and combines NMR data analysis and ligand docking methods into an integrated process. In one embodiment, NMR data is used to filter docking results to identify the most consistent binding modes, thereby providing structural information in a high-throughput fashion without the need for assigning protein resonances. Trial assignments for protein-ligand nuclear Overhauser effect (NOE) interactions are also produced by the method.