AIMC Topic: Deuterium Exchange Measurement
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Deep Learning Enables Automatic Correction of Experimental HDX-MS Data with Applications in Protein Modeling.
Journal of the American Society for Mass Spectrometry
Jan 23, 2024
Observed mass shifts associated with deuterium incorporation in hydrogen-deuterium exchange mass spectrometry (HDX-MS) frequently deviate from the initial signals due to back and forward exchange. In typical HDX-MS experiments, the impact of these di...
Mapping HDX-MS Data to Protein Conformations through Training Ensemble-Based Models.
Journal of the American Society for Mass Spectrometry
Aug 7, 2023
An original approach that adopts machine learning inference to predict protein structural information using hydrogen-deuterium exchange mass spectrometry (HDX-MS) is described. The method exploits an in-house optimization program that increases the r...
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