Determining structures of macromolecular assemblies is key to the mechanistic understanding of the cell. Due to the complexity of this task, it is often performed by a combination of multiple biophysical techniques complemented by computational methods. With recent advances in both cryo electron microscopy (cryo EM) and mass spectrometry techniques, a new dimension of assembly structures can be explored – their dynamics. We propose to develop a computational method for determining the architecture and dynamics of assemblies using integrative modelling based on information from cryo EM and cross-linking mass spectrometry. The method will be tested on known data and applied to assemblies from herpesviruses fusion machinery.
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