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A framework for automated multimodal HDX-MS analysis

Tuttle, L. M.; Klevit, R. E.; Guttman, M.

2025-03-15 biophysics
10.1101/2025.03.13.643099 bioRxiv
Show abstract

We present pyHXExpress, a customizable codebase for automated high-throughput multimodal analysis of all spectra generated from HDX-MS experiments. The workflow was validated against a synthetic test dataset to test the fitting algorithms and to confirm the statistical outputs. We further establish a framework for the determination of multimodality throughout a protein system by rigorous evaluation of multimodal fits across all peptide spectra. We demonstrate this approach using entire protein datasets to detect multimodality, conformational heterogeneity, and characterize dynamics of small heat shock protein HSPB5 and two disease mutants.

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"Similar papers" are the closest papers from that journal in the model's embedding space. They show what the match is built on, but the ranking comes mostly from a classifier over the whole training set, not from these examples alone.