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

• DOI: 10.1093/bioinformatics/btaa677
• Publication Date: 2020-07-22T19:24:53Z
• Authors: Andy M Lau; Jürgen Claesen; Kjetil Hansen; Argyris Politis
• Keywords: Hydrogen–deuterium exchange; Data Exchange

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 protein states, such as absence or presence a ligand. This can be used to attribute conformation binding events, allowing mapping entire conformational networks. As such, number necessary cross-state comparisons quickly increases additional states are introduced system study. There currently very few software packages available that offer quick and informative datasets even fewer which statistical analysis advanced visualization. Following feedback from our original Deuteros, we present Deuteros 2.0 has been redesigned ground up fulfill greater role pipeline. features repertoire facilities back correction, data summarization, peptide-level plotting features. Availability implementation downloaded both Windows MacOS https://github.com/andymlau/Deuteros_2.0 under Apache license.