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F1‐ATPase is an adenosine tri‐phosphate (ATP)‐driven rotary motor enzyme. We investigated the structural fluctuations and concerted motions of subunits in F1‐ATPase using molecular dynamics (MD) simulations. An MD simulation for the α3β3γ complex was carried out for 30 ns. Although large fluctuations of the N‐terminal domain observed in simulations of the isolated βE subunit were suppressed in the...
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