Evidence map›Paper›PMID 27412089›Full record

ArticleBioinformatics (Oxford, England)2016

MEMHDX: an interactive tool to expedite the statistical validation and visualization of large HDX-MS datasets.

Véronique Hourdel, Stevenn Volant, Darragh P O'Brien, Alexandre Chenal, Julia Chamot-Rooke, Marie-Agnès Dillies, Sébastien Brier

Abstract read
In one paragraph

Article in Bioinformatics (Oxford, England), 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 41 papers.

0numbers the graph read from it
0cells of the map it votes in
41citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

41 citing papers in PubMed.

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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Véronique HourdelDepartment of Chemistry and Structural Biology, Institut Pasteur, UMR CNRS, Paris 3528, France.
Stevenn VolantHub Bioinformatique Et Biostatistique, Institut Pasteur, C3bi, USR 3756 IP CNRS Paris 3528, France.
Darragh P O'BrienDepartment of Chemistry and Structural Biology, Institut Pasteur, UMR CNRS, Paris 3528, France.
Alexandre ChenalDepartment of Chemistry and Structural Biology, Institut Pasteur, UMR CNRS, Paris 3528, France.
Julia Chamot-RookeDepartment of Chemistry and Structural Biology, Institut Pasteur, UMR CNRS, Paris 3528, France.
Marie-Agnès DilliesHub Bioinformatique Et Biostatistique, Institut Pasteur, C3bi, USR 3756 IP CNRS Paris 3528, France.
Sébastien BrierDepartment of Chemistry and Structural Biology, Institut Pasteur, UMR CNRS, Paris 3528, France.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

motivationWith the continued improvement of requisite mass spectrometers and UHPLC systems, Hydrogen/Deuterium eXchange Mass Spectrometry (HDX-MS) workflows are rapidly evolving towards the investigation of more challenging biological systems, including large protein complexes and membrane proteins. The analysis of such extensive systems results in very large HDX-MS datasets for which specific analysis tools are required to speed up data validation and interpretation.

resultsWe introduce a web application and a new R-package named 'MEMHDX' to help users analyze, validate and visualize large HDX-MS datasets. MEMHDX is composed of two elements. A statistical tool aids in the validation of the results by applying a mixed-effects model for each peptide, in each experimental condition, and at each time point, taking into account the time dependency of the HDX reaction and number of independent replicates. Two adjusted P-values are generated per peptide, one for the 'Change in dynamics' and one for the 'Magnitude of ΔD', and are used to classify the data by means of a 'Logit' representation. A user-friendly interface developed with Shiny by RStudio facilitates the use of the package. This interactive tool allows the user to easily and rapidly validate, visualize and compare the relative deuterium incorporation on the amino acid sequence and 3D structure, providing both spatial and temporal information. AVAILABILITY AND IMPLEMENTATION: MEMHDX is freely available as a web tool at the project home page http://memhdx.c3bi.pasteur.fr CONTACT: marie-agnes.dillies@pasteur.fr or sebastien.brier@pasteur.frSupplementary information: Supplementary data is available at Bioinformatics online.

Indexed as

DeuteriumHydrogenDatasets as TopicDeuterium Exchange MeasurementMass SpectrometrySoftwareDeuteriumHydrogen

Identifiers

PMID27412089
PMCPMC5181559

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.