Analysis and Visualisation of Hydrogen/Deuterium Exchange Mass Spectrometry Data

Functions for processing, analysis and visualization of Hydrogen Deuterium eXchange monitored by Mass Spectrometry experiments (HDX-MS) (). 'HaDeX' introduces a new standardized and reproducible workflow for the analysis of the HDX-MS data, including novel uncertainty intervals. Additionally, it covers data exploration, quality control and generation of publication-quality figures. All functionalities are also available in the in-built 'Shiny' app.


published in: Bioinformatics R build status CRAN_Status_Badge license metacran downloads DOI

HaDeX: Analysis and Visualisation of Hydrogen/Deuterium Exchange Mass Spectrometry Data

Hydrogen/Deuterium eXchange Mass Spectrometry (HDX-MS) is a staple technology in structural proteomics. HaDeX provides a analytic workflow for HDX-MS data available as a standalone GUI (https://sourceforge.net/projects/HaDeX/), web server (https://hadex.mslab-ibb.pl/) and the R package available on CRAN (https://cran.r-project.org/web/packages/HaDeX/index.html).

Local instance of HaDeX GUI

To run HaDeX GUI locally on Windows, install it using the following binary file: https://sourceforge.net/projects/HaDeX/files/HaDeX_setup.exe/download

Local instance of HaDeX package

You can install the latest development version of the package:

devtools::install_github("hadexversum/HaDeX")

or the latest version available on CRAN:

install.packages("HaDeX")

After installation GUI can be accessed locally:

library(HaDeX)
HaDeX_gui()

Online manual

The HaDeX documentation is available online.

Citation

Puchala W, Burdukiewicz M, Kistowski M, Dabrowska KA, Badaczewska-Dawid AE, Cysewski D and Dadlez M (2020). HaDeX: Analysis and Visualisation of Hydrogen/Deuterium Exchange Mass Spectrometry Data. Bioinformatics, 10.1093/bioinformatics/btaa587.

Funding

This work is supported by Foundation of Polish Science (TEAM TECH CORE FACILITY/2016-2/2 Mass Spectrometry of Biopharmaceuticals - improved methodologies for qualitative, quantitative and structural characterization of drugs, proteinaceous drug targets and diagnostic molecules) and Narodowe Centrum Nauki (Preludium Bis 1 2019/35/O/NZ2/03745 Wysokorozdzielcza analiza danych z eksperymentów wymiany proton-deuter monitorowanych spektrometrią mas).

Reference manual

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install.packages("HaDeX")

1.2.3 by Weronika Puchala, a year ago


Browse source code at https://github.com/cran/HaDeX


Authors: Weronika Puchala [cre, aut] (ORCID: , Michal Burdukiewicz [aut] (ORCID: , Dominik Rafacz [ctb]


Documentation:   PDF Manual  


GPL-3 license


Imports data.table, dplyr, ggplot2, latex2exp, reshape2, readr, readxl, shiny, tidyr

Suggests spelling, covr, digest, DT, gridExtra, gsubfn, knitr, pander, renv, rmarkdown, shinycssloaders, shinyhelper, shinyjs, stringr, testthat, vdiffr


See at CRAN