PoSSuM_Model_SKRBIC_Tatjana_EMPHABIOSYS_MarieCurie

Summary: Chain molecules play a key role in the polymer field and in living cells. Our focus is on a new homopolymermodel of a linear chain molecule subject to an attractive self-interaction promoting compactness. We analyzethe model using simple analytic arguments complemented by extensive computer simulations. We find severalstriking results: there is a first-order transition from a high-temperature random coil phase to a highly unusuallow-temperature phase; the modular ground states exhibit significant degeneracy; the ground state structuresexhibit spontaneous dimensional reduction and have a two-layer structure; and the ground states are assembledfrom secondary motifs of helices and strands connected by tight loops. We discuss the similarities and notabledifferences between the ground state structures [we call these PoSSuM (Planar Structures with SecondaryMotifs)] in the phase and protein native state structures. This project (EMPHABIOSYS) received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 894784.