A machine learning method for calculating highly localized protein stabilities
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The residue-level free energy of opening (∆G op ) 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 ΔG op 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).
