Ion mobility resolved photo-fragmentation to discriminate protomers.

Chang Min ChoiAlexander KuleszaSteven DalyLuke MacAleeseRodolphe AntoinePhilippe DugourdFabien Chirot

Published in: Rapid communications in mass spectrometry : RCM (2018)

We show that, even if precise structure assignment based on molecular modeling is in principle difficult for large biomolecular assemblies, the combination of photo-fragmentation and IMS can help to identify the signature of protomer co-existence for a population of biomolecular ions in the gas phase. Such spectroscopic data are particularly suitable to follow conformational changes.

Keyphrases

molecular docking
molecular dynamics simulations
electronic health record
molecular dynamics
electron transfer
single molecule
quantum dots
big data
machine learning
data analysis
deep learning