HDX Workbench: Software for the Analysis of H/D Exchange MS Data

TLDR

Hydrogen/deuterium exchange mass spectrometry (HDX‑MS) is an established method for probing protein conformation and dynamics, yet current software tools cannot keep pace with the technique’s improved methods and throughput. The authors developed HDX Workbench to automate, manage, visualize, and statistically compare large HDX‑MS datasets. HDX Workbench is an integrated desktop program that performs these functions, enabling efficient handling of extensive HDX data. The software achieves validated HDX‑MS data analysis at the rate of data generation and is available at http://hdx.florida.scripps.edu.

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.