title: Peptide retention time prediction.
abstract: Most methods for interpreting data from shotgun proteomics experiments are to large degree dependent on being able to predict properties of peptide-ions. Often such predicted properties are limited to molecular mass and fragment spectra, but here we put focus on a perhaps underutilized property, a peptide's chromatographic retention time. We review a couple of different principles of retention time prediction,and their applications within computational proteomics. © 2016 Wiley Periodicals, Inc. Mass Spec Rev 36:615-623, 2017.
authors.affiliation: Science for Life Laboratory, School of Biotechnology, Royal Institute of Technology - KTH, Stockholm, Sweden.
authors.forename: Luminita
authors.initials: L
authors.lastname: Moruz
authors.affiliation: Science for Life Laboratory, School of Biotechnology, Royal Institute of Technology - KTH, Stockholm, Sweden.
authors.forename: Lukas
authors.initials: L
authors.lastname: Käll
mesh_terms: D056148:Chromatography, Reverse-Phase / Q000379:methods*; D019295:Computational Biology / Q000379:methods; D000069550:Machine Learning; D010455:Peptides / Q000032:analysis* / Q000737:chemistry / Q000302:isolation & purification; D040901:Proteomics / Q000379:methods*; D013997:Time Factors
chemical_list: D010455:Peptides
keywords: bioinformatics; chromatography; mass spectrometry; peptides; regression analysis