Deuteros is an app designed for analysing and visualising data from hydrogen deuterium exchange mass spectrometry (HDX-MS) experiments, including quickly analysing peptide-level uptake kinetics, differential analysis, statistical testing via Woods and Volcano plots, back exchange correction and exporting to molecular graphics.

To download Deuteros please visit our Github page.

Citation

If using Deuteros, please cite the following paper:

• Andy M Lau, Jürgen Claesen, Kjetil Hansen, Argyris Politis, Deuteros 2.0: peptide-level significance testing of data from hydrogen deuterium exchange mass spectrometry, Bioinformatics, Volume 37, Issue 2, January 2021, Pages 270–272, https://doi.org/10.1093/bioinformatics/btaa677.

Improving Peptide Fragmentation for Hydrogen–Deuterium Exchange Mass Spectrometry Using a Time-Dependent Collision Energy Calculator

We developed a program to calculate the optimal CE for a set of peptides and MS settings based on initial reference samples using HDMSe experiments. We showed that applying a CE LUT provided 8.5–50% more peptides compared to a linear CE ramp.

The python-based CE LUT calculator is available under the CC-BY license and can be downloaded at https://github.com/kjetil-hansen/LUT-Calculator.

Citation

If using CELUT, please cite the following paper:

Hansen, K.; Politis, A. Improving Peptide Fragmentation for Hydrogen–Deuterium Exchange Mass Spectrometry Using a Time-Dependent Collision Energy Calculator. Journal of the American Society for Mass Spectrometry 2020, 31 (4), 996-999. DOI: http://dx.doi.org/10.1021/jasms.9b00133