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filingDate 2016-02-05-04:00^^<http://www.w3.org/2001/XMLSchema#date>
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publicationDate 2020-04-07-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber US-10614909-B2
titleOfInvention Quantum mechanical/X-ray crystallography diagnostic for proteins
abstract An analytic method for improving the efficiency in identifying protein molecular effect information using low resolution x-ray crystallography, by selecting and imaging a protein sample with low resolution x-ray crystallography and assaying the data thus generated as to local ligand strain energy value, followed by calculating a real-space difference density Z for each element and compiling ZDD data therefrom, followed by determining the true protomer/tautomer state of the protein sample by calculating Score i according to the following equation so that the highest Score i signifies the molecuar effect information:n nScore i ={((ZDD i −μ ZDD )/σ ZDD )+((SE i −μ SE )/σ SE )}.
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