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

Research output: Contribution to journalArticle

Original languageEnglish
JournalBIOINFORMATICS
Accepted/In press20 Jul 2020

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  • Lau_Deuteros_2_Manuscript_revised_final_accepted

    Lau_Deuteros_2_Manuscript_revised_final_accepted.docx, 155 KB, application/vnd.openxmlformats-officedocument.wordprocessingml.document

    Uploaded date:20 Jul 2020

    Version:Accepted author manuscript

King's Authors

Abstract

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 fulfil 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 fea-tures.

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