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bioRxiv · 10.1101/2025.10.21.683809

A machine learning method for calculating highly localized protein stabilities

Lu, C.·Weber, K. C.·McBride, S. K.·Reckers, A.·Glasgow, A.
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Abstract

The residue-level free energy of opening ({Delta}Gop) is the ultimate thermodynamic descriptor of localized protein stability, providing valuable information about the protein ensemble at physiologically relevant timescales and conditions. PFNet instantly determines {Delta}Gop for arbitrarily large proteins and complexes from conventional peptide-level hydrogen exchange/mass spectrometry (HX/MS) datasets. It unlocks the full potential of HX/MS, democratizing the method and establishing quantitative, scalable and accessible analysis (https://github.com/glasgowlab/PFNet).

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Lu, C., Weber, K. C., McBride, S. K., Reckers, A., Glasgow, A.. 2025-10-23. A machine learning method for calculating highly localized protein stabilities. https://doi.org/10.1101/2025.10.21.683809

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