http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-03075006-A1

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filingDate 2003-03-03-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_0e34a5157873b655ae09ec0377f71bef
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publicationDate 2003-09-12-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber WO-03075006-A1
titleOfInvention Determination of compatibility of a set of chemical modifications with an amino-acid chain
abstract Peptide mass mapping is a technique whereby masses determined from mass spectrometry of a protein digest are compared to the masses of theoretical peptides derived from a reference protein, specified as an amino-acid sequence. In some cases differences between experimental and theoretical masses can be accounted for by chemical modifications of the actual protein with respect to the reference, often as a result of post-translational modification (PTM). Typically such modifications are applicable to specific sets of amino-acid residues. Analysis of these mass differences can therefore lead to identification of PTMs. In various cases, it is desirable that such analysis in general allow for the possibility of a peptide having several different PTMs, and furthermore it is desirable in various cases that the chemical compatibility of a putative combination of PTMs with the peptide sequence be verified. Embodiments are described herein wherein compatibility verification is formulated as a problem in graph theory. Theory and implementation of a solution are discussed and described.
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