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The calculated Fukui function inferred the local softness and electrophilicity indices of used solute compounds. © 2020 John Wiley Sons, Ltd.Native mass spectrometry is an emerging technique in biology that gives the possibility to study non-covalently bound complexes with high sensitivity and accuracy. It thus allows the characterization of macromolecular assemblies, assessing their mass and stoichiometries and mapping the interacting surfaces. In this review, we discuss the application of native mass spectrometry to dynamic mole