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Abstract
Hydrogen-deuterium exchange mass spectrometry (HDX-MS) is a valuable approach to probe protein structure and dynamics. However, interpretation of HDX-MS data is typically limited to peptide-level resolution. Ongoing efforts aim to integrate experimental HDX-MS data with molecular dynamics (MD) approaches, providing a high resolution interpretation of the HDX-MS data. Thus, an HDX-MS based maximum-entropy reweighting approach (HDXer) was developed to reweight computationally generated ensembles to HDX-MS data.
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