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arXiv · 2306.03182

Limits on the Precision of Catenane Molecular Motors: Insights from Thermodynamics and Molecular Dynamics Simulations

Alex Albaugh·Rueih-Sheng Fu·Geyao Gu·Todd R. Gingrich
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Abstract

Thermodynamic uncertainty relations (TURs) relate precision to the dissipation rate, yet the inequalities can be far from saturation. Indeed, in catenane molecular motor simulations, we record precision far below the TUR limit. We further show that this inefficiency can be anticipated by four physical parameters: the thermodynamic driving force, fuel decomposition rate, coupling between fuel decomposition and motor motion, and rate of undriven motor motion. The physical insights might assist in designing molecular motors in the future.

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Alex Albaugh, Rueih-Sheng Fu, Geyao Gu, Todd R. Gingrich. 2023-06-05. Limits on the Precision of Catenane Molecular Motors: Insights from Thermodynamics and Molecular Dynamics Simulations. https://doi.org/10.1021/acs.jctc.3c01201

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