Dynamical coarse graining for non-equilibrium steady states with stochastic dynamics (A07)

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The aim of this project is to develop a comprehensive computational method to coarse-grain models from atomistic resolution to a few discrete states, while preserving the statistics of the energetic exchange with their environment. In complex macro and biomolecules, these discrete states are identified with long-lived molecular conformations. In the third funding period, we aim to address applications to biomolecular processes. In particular, we will elucidate how the interactions of disordered proteins are shaped by non-equilibrium phosphorylation-dephosphorylation cycles.