The proteasome is a large biomolecular complex responsible for protein degradation. Recent experimental data revealed that there is an allosteric communication between a core and regulatory parts of the proteasome. In the project, researchers have used atomistic simulations to study molecular details of the allosteric signal – in their study triggered by a covalent inhibitor. While the inhibitor causes only subtle structural changes, the proteasome-wide fluctuation changes may explain the self-regulation of the biomolecular machine.
Read the complete user research report at the Gauss Centre for Supercomputing.
Department of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry
Life Sciences
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