HDX workbench: software for the analysis of H/D exchange MS data

J Am Soc Mass Spectrom. 2012 Sep;23(9):1512-21. doi: 10.1007/s13361-012-0419-6. Epub 2012 Jun 13.

Abstract

Hydrogen/deuterium exchange mass spectrometry (HDX-MS) is an established method for the interrogation of protein conformation and dynamics. While the data analysis challenge of HDX-MS has been addressed by a number of software packages, new computational tools are needed to keep pace with the improved methods and throughput of this technique. To address these needs, we report an integrated desktop program titled HDX Workbench, which facilitates automation, management, visualization, and statistical cross-comparison of large HDX data sets. Using the software, validated data analysis can be achieved at the rate of generation. The application is available at the project home page http://hdx.florida.scripps.edu .

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Algorithms
  • Amino Acid Sequence
  • Deuterium Exchange Measurement / methods*
  • Molecular Sequence Data
  • Peptides / chemistry
  • Proteins / chemistry*
  • Reproducibility of Results
  • Sequence Alignment
  • Sequence Analysis, Protein
  • Software*
  • Tandem Mass Spectrometry / methods*
  • User-Computer Interface

Substances

  • Peptides
  • Proteins