Integrative Mass Spectrometry–Based Approaches for Modeling Macromolecular Assemblies

Andy M. Lau, Argyris Politis*

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

5 Citations (Scopus)


Mass spectrometry (MS)–based strategies have emerged as key elements for structural modeling of proteins and their assemblies. In particular, merging together complementary MS tools, through the so-called hybrid approaches, has enabled structural characterization of proteins in their near-native states. Here, we describe how different MS techniques, such as native MS, chemical cross-linking MS, and ion mobility MS, are brought together using sophisticated computational algorithms and modeling restraints. We demonstrate the applicability of the strategy by building accurate models of multimeric protein assemblies. These strategies can practically be applied to any protein complex of interest and be readily integrated with other structural approaches such as electron density maps from cryo-electron microscopy.

Original languageEnglish
Title of host publicationMethods in Molecular Biology
PublisherHumana Press Inc
Number of pages21
Publication statusPublished - 2021

Publication series

NameMethods in Molecular Biology
ISSN (Print)1064-3745
ISSN (Electronic)1940-6029


  • Computational modeling
  • Hybrid approaches
  • Modeling restraints
  • Protein complexes
  • Structural mass spectrometry


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