Deuteros 2.0: peptide-level significance testing of data from hydrogen deuterium exchange mass spectrometry.
Journal
Bioinformatics (Oxford, England)
ISSN: 1367-4811
Titre abrégé: Bioinformatics
Pays: England
ID NLM: 9808944
Informations de publication
Date de publication:
19 04 2021
19 04 2021
Historique:
received:
10
05
2020
revised:
03
07
2020
accepted:
20
07
2020
pubmed:
30
7
2020
medline:
29
4
2021
entrez:
30
7
2020
Statut:
ppublish
Résumé
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. 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.
Identifiants
pubmed: 32722756
pii: 5877424
doi: 10.1093/bioinformatics/btaa677
pmc: PMC8055227
doi:
Substances chimiques
Peptides
0
Proteins
0
Hydrogen
7YNJ3PO35Z
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
270-272Subventions
Organisme : Biotechnology and Biological Sciences Research Council
ID : BB/M009513/1
Pays : United Kingdom
Informations de copyright
© The Author(s) 2021. Published by Oxford University Press.
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