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filingDate 2008-05-23-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_a16840a1bdb87bd3166e68b94574bc7b
publicationDate 2009-01-15-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber US-2009018777-A1
titleOfInvention Systems and Methods for Predicitng Ligand-Protein Binding Interactions
abstract The present invention relates to systems and methods for determining a candidate molecule's ability to bind a target protein comprising calculating a score for the candidate molecule, wherein the score is a function of a position of the candidate molecule relative to a field of distribution densities on a three-dimensional target protein structure. The systems and methods are useful for designing active molecules in drug discovery. Methods of this invention can be implemented in a computer system and may be embodied as computer code in a computer readable medium.
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http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11710542-B2
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