A machine learning method for calculating highly localized protein stabilities
Abstract The residue-level free energy of opening (∆G op ) is the thermodynamic descriptor of localized protein stability, providing valuable information about the protein ensemble at physiologically relevant timescales and conditions. PFNet instantly determines ∆G 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.
Authors
- Kyle C. Weber (ORCID: https://orcid.org/0000-0002-3379-6303)
- Chenlin Lu (ORCID: https://orcid.org/0000-0002-5655-2993)
- Andrew Reckers (ORCID: https://orcid.org/0000-0002-7567-8540)
- Savannah K. McBride (ORCID: https://orcid.org/0000-0001-8585-8038)
- Anum Glasgow (ORCID: https://orcid.org/0000-0002-0938-881X)
Institutions
- Columbia University (US)
Publication Details
- Journal
- Nature Communications
- Published
- 2026-09-01
- DOI
- https://doi.org/10.1038/s41467-026-75590-9
- Citations
- 1
- Primary Topic
- Protein Structure and Dynamics
- Type
- article
- Field-Weighted Citation Impact
- 2.94
Funders
- National Science Foundation
- National Institutes of Health
- National Institute of General Medical Sciences
- National Institute of Biomedical Imaging and Bioengineering