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Roles of local nonequilibrium free energy in the description of biomolecules.

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When a system is in equilibrium, external perturbations yield a time series of nonequilibrium distributions, and recent experimental techniques give access to the nonequilibrium data that may contain critical information.… Click to show full abstract

When a system is in equilibrium, external perturbations yield a time series of nonequilibrium distributions, and recent experimental techniques give access to the nonequilibrium data that may contain critical information. Jinwoo and Tanaka [Sci. Rep. 5, 7832 (2015)2045-232210.1038/srep07832] have provided mathematical proof that such a process's nonequilibrium free energy profile over a system's substates has Jarzynski's work as content, which spontaneously dissipates while molecules perform their tasks. Here we numerically verify this fact and give a practical example where we analyze a computer simulation of RNA translocation by a ring-shaped ATPase motor. By interpreting the cyclic process of substrate translocation as a series of quenching, relaxation, and second quenching, the theory gives how the ATPase motor allocates the hydrolysis energy between individual substates until the end of the process. It turns out that the efficiency of RNA translocation is 48%-60% for most molecules, but 12% of molecules achieve 80%-100% efficiency, which is consistent with the literature. This theory would be a valuable tool for extracting quantitative information about molecular nonequilibrium behavior from experimental observations.

Keywords: nonequilibrium free; nonequilibrium; energy; free energy; local nonequilibrium; roles local

Journal Title: Physical review. E
Year Published: 2022

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