A better scoring model for de novo peptide sequencing: the symmetric difference between explained and measured masses

摘要

BackgroundGiven a peptide as a string of amino acids, the masses of all its prefixes and suffixes can be found by a trivial linear scan through the amino acid masses. The inverse problem is the ideal de novo peptide sequencing problem: Given all prefix and suffix masses, determine the string of amino acids. In biological reality, the given masses are measured in a lab experiment, and measurements by necessity are noisy. The (real, noisy) de novo peptide sequencing problem therefore has a noisy input: a few of the prefix and suffix masses of the peptide are missing and a few other masses are given in addition. For this setting, we ask for an amino acid string that explains the given masses as accurately as possible.