Investigating trigger perception in multidomain proteins via molecular simulation and machine learning (A05)

• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: since 2026
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 550938463

We combine multiscale simulations with machine learning and network analysis to understand how triggers directly or indirectly affect protein conformations and protein-protein interactions. The focus lies on multidomain proteins which are studied experimentally in the CRC. We will investigate the molecular response of mechanosensory kinases to isotropic pressure and anisotropic mechanical stress as well as the relocalisation of deubiquitylating enzymes between cytosol, plasma membrane and molecular condensates as part of the cellular response to heat stress.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1756: Chemical and Biological Principles of Cellular Trigger Responses
• Applicant Institution: Universität Konstanz
• Project Head: Professorin Dr. Christine Peter