PEPTIDE RETENTION TIME PREDICTION

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. (C) 2016 Wiley Periodicals, Inc.