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Optimal Control of the F 1 -ATPase Molecular Motor.

Deepak GuptaSteven J LargeShoichi ToyabeDavid A Sivak
Published in: The journal of physical chemistry letters (2022)
F 1 -ATPase is a rotary molecular motor that in vivo is subject to strong nonequilibrium driving forces. There is great interest in understanding the operational principles governing its high efficiency of free-energy transduction. Here we use a near-equilibrium framework to design a nontrivial control protocol to minimize dissipation in rotating F 1 to synthesize adenosine triphosphate. We find that the designed protocol requires much less work than a naive (constant-velocity) protocol across a wide range of protocol durations. Our analysis points to a possible mechanism for energetically efficient driving of F 1 in vivo and provides insight into free-energy transduction for a broader class of biomolecular and synthetic machines.
Keyphrases
  • randomized controlled trial
  • high efficiency
  • molecular dynamics
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