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Energy landscapes, supergraphs, and "folding funnels" in spin systems
P Garstecki1, T X Hoang, M Cieplak
1Institute of Chemical Physics, Polish Academy of Sciences, ul. Kasprzaka 44/52, 01-224 Warsaw, Poland.
Abstract:
Dynamical connectivity graphs, which describe dynamical transition rates between local energy minima of a system, can be displayed against the background of a disconnectivity graph which represents the energy landscape of the system. The resulting supergraph describes both dynamics and statics of the system in a unified coarse-grained sense. We give examples of the supergraphs for several two-dimensional spin and protein-related systems. We demonstrate that disordered ferromagnets have supergraphs akin to those of model proteins whereas spin glasses behave like random sequences of amino acids that fold badly.