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Navigating the Mass Spectrometry-Based Proteomic Data Using Free Computational Tools
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NaViA: a program for the visual analysis of complex mass spectra.

Daniel Quetschlich1,2, Tim K Esser1, Thomas D Newport2

  • 1Department of Chemistry, University of Oxford, Oxford OX1 3TF, UK.

Bioinformatics (Oxford, England)
|June 19, 2021
PubMed
Summary

Native mass spectrometry (NMS) analyzes protein complexes, but complex spectra are challenging. The Native Mass Spectrometry Visual Analyser (NaViA) tool simplifies peak assignment and data interpretation for NMS.

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Area of Science:

  • Biochemistry
  • Analytical Chemistry
  • Structural Biology

Background:

  • Native mass spectrometry (NMS) is crucial for studying protein complexes, including subunit stoichiometry and ligand binding.
  • Increasingly complex NMS spectra from diverse mixtures pose challenges for manual and automated analysis.

Purpose of the Study:

  • To develop a tool that aids in the interpretation of complex native mass spectrometry data.
  • To streamline the process of peak assignment and annotation in NMS spectra.

Main Methods:

  • Development of a web-based tool, the Native Mass Spectrometry Visual Analyser (NaViA).
  • Implementation of features for raw data processing, mass matching to subunit stoichiometry, and spectral annotation.
  • Facilitation of sharing NMS data and interpretations.

Main Results:

  • NaViA provides a user-friendly interface to augment manual peak assignment in NMS.
  • The tool supports the analysis of complex mixtures by matching observed masses to expected subunit stoichiometries.
  • NaViA enables annotation and sharing of NMS spectra and their interpretations.

Conclusions:

  • NaViA is an open-source web tool that simplifies the analysis of complex native mass spectrometry data.
  • The tool enhances the investigation of protein complex stoichiometry and ligand binding properties.
  • NaViA is accessible online with source code and documentation available.