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Updated: Jan 21, 2026

Time-resolved ElectroSpray Ionization Hydrogen-deuterium Exchange Mass Spectrometry for Studying Protein Structure and Dynamics
Published on: April 17, 2017
Mass Spectrometry- and Computational Structural Biology-Based Investigation of Proteins and Peptides
Marius Mihăşan1,2, Kelly L Wormwood1, Izabela Sokolowska1
1Biochemistry & Proteomics Group, Structural Biology & Molecular Modeling Unit, Department of Chemistry & Biomolecular Science, Clarkson University, Potsdam, NY, USA.
Abstract:
Recent developments of mass spectrometry (MS) allow us to identify, estimate, and characterize proteins and protein complexes. At the same time, structural biology helps to determine the protein structure and its structure-function relationship. Together, they aid to understand the protein structure, property, function, protein-complex assembly, protein-protein interaction, and dynamics. The present chapter is organized with illustrative results to demonstrate how experimental mass spectrometry can be combined with computational structural biology for detailed studies of protein's structures. We have used tumor differentiation factor protein/peptide as ligand and Hsp70/Hsp90 as receptor protein as examples to study ligand-protein interaction. To investigate possible protein conformation, we will describe two proteins-lysozyme and myoglobin. As an application of MS-based assignment of disulfide bridges, the case of the spider venom polypeptide Phα1β will also be discussed.
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