hadexversum: tools for HDX-MS analysis

Hydrogen deuterium exchange (HDX) is a unique technique of protein structural studies as it provides insight into the dynamic properties of protein chains entangled in more or less stable spatial structures. The HDX-MS data is complex and it requires a dedicated solution. To answer the needs of the community, we developed a family of applications - hadexversum, personalizable workflows for multidimensional challenges.

The very first created tool is HaDeX - a versatile software for processing, analyzing, and visualizing output data on the peptide level. The application provides a complete analytic workflow, with precise uncertainty calculations and reporting features recommended in the community guidelines. Various visualization methods (including novel ones) ensure in-depth data exploration.

To expand the possible overview of the exchange phenomenon, we created HRaDeX. We utilized a well-known mathematical exchange model and proposed a unique method of uptake curve classification, using color code corresponding to the exchange pattern. Ultimately, the classification results are aggregated to the high-resolution level and presented on the 3D structure, enabling the correspondence of the spatial data with experimental results. As HRaDeX works on one biological state at a time, compaHRaDeX provides comparative analysis to ensure comfort of use.

All applications are available as a web-servers, R-packages, and standalone software. The excessive documentation accompanies them to ensure maximal transparency as an open-source solution (https://github.com/hadexversum/).