Improving hydrogen/deuterium exchange mass spectrometry by reduction of the back-exchange effect

2003 ◽  
Vol 38 (3) ◽  
pp. 271-276 ◽  
Author(s):  
Marc Kipping ◽  
Angelika Schierhorn
Keyword(s):  
Mass Spectrometry ◽  
Deuterium Exchange ◽  
Hydrogen Deuterium Exchange ◽  
Exchange Effect ◽  
Exchange Mass Spectrometry ◽  
Back Exchange ◽  
Hydrogen Deuterium ◽  
Deuterium Exchange Mass Spectrometry

scholarly journals Deuteros 2.0: peptide-level significance testing of data from hydrogen deuterium exchange mass spectrometry

2020 ◽  
Author(s):  
Andy M Lau ◽  
Jürgen Claesen ◽  
Kjetil Hansen ◽  
Argyris Politis
Keyword(s):  
Mass Spectrometry ◽  
Statistical Analysis ◽  
Deuterium Exchange ◽  
Hydrogen Deuterium Exchange ◽  
Exchange Mass Spectrometry ◽  
Peptide Level ◽  
Back Exchange ◽  
Hydrogen Deuterium ◽  
Deuterium Exchange Mass Spectrometry ◽  
Hdx Ms

Abstract Summary Hydrogen deuterium exchange mass spectrometry (HDX-MS) is becoming increasing routine for monitoring changes in the structural dynamics of proteins. Differential HDX-MS allows comparison of protein states, such as in the absence or presence of a ligand. This can be used to attribute changes in conformation to binding events, allowing the mapping of entire conformational networks. As such, the number of necessary cross-state comparisons quickly increases as additional states are introduced to the system of study. There are currently very few software packages available that offer quick and informative comparison of HDX-MS datasets and even fewer which offer statistical analysis and advanced visualization. Following the feedback from our original software Deuteros, we present Deuteros 2.0 which has been redesigned from the ground up to fulfill a greater role in the HDX-MS analysis pipeline. Deuteros 2.0 features a repertoire of facilities for back exchange correction, data summarization, peptide-level statistical analysis and advanced data plotting features. Availability and implementation Deuteros 2.0 can be downloaded for both Windows and MacOS from https://github.com/andymlau/Deuteros_2.0 under the Apache 2.0 license.

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