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

TL;DR

This paper investigates the fundamental limits of precision in catenane molecular motors using thermodynamics and molecular dynamics simulations, revealing how physical parameters influence motor efficiency and guiding future design improvements.

Contribution

It provides new insights into the thermodynamic constraints of molecular motors and identifies key physical parameters affecting their precision and efficiency.

Findings

Precision is often far below thermodynamic uncertainty relation limits.

Four physical parameters can predict motor inefficiency.

Insights may guide the design of more efficient molecular motors.

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.