Inferring Peptide Composition from Molecular Formulas
نویسندگان
چکیده
With the advent of novel mass spectrometry techniques such as Orbitrap MS, it is possible to determine the exact molecular formula of an unknown molecule solely from its isotope pattern. But for protein mass spectrometry, one is facing the problem that many peptides have exactly the same molecular formula even when ignoring the order of amino acids. In this work, we present an efficient method to determine the amino acid composition of an unknown peptide solely from its molecular formula. Our solution is based on efficiently enumerating all solutions of the multi-dimensional equality constrained integer knapsack problem.
منابع مشابه
The National Conference on Protein & Peptide Sciences: From Basic to Medical & Industrial Applications (Shiraz University 10 & 11 December 2014)
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