A New Model for Prediction and Comparison of Per-residue Deuterium Uptake Level and Peptide Structures in the Gas Phase

摘要

Gas phase hydrogen-deuterium exchange (HDX) combined with MS has been used for characterization of protein ion conformations. Early work utilized HDX in FT-ICR instruments to demonstrate the presence of multiple conformations of protein ions based on the observation of different exchange rates[1-3]. Recently in our research group we have utilized IMS-HDX-MS/MS and molecular dynamic simulation for protonated protein ions to match the best structure type for a given collision cross section[4,5].