Nature CommunicationsBiophysicsPeer-reviewed journal article
A machine learning method for calculating highly localized protein stabilities
Chenlin LuiD, Kyle C. WeberiD, Savannah K. McBrideiD, Andrew ReckersiD, Anum Azam GlasgowiD
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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