A minimal chemo-mechanical Markov model for rotary catalysis of F1-ATPase (opens in new tab)

F1-ATPase, the catalytic domain of ATP synthase, is pivotal for mechano-chemical energy conversion in mitochondria. Aiming at a minimal yet quantitative and thermodynamically consistent model for its rotary catalysis mechanism, here we developed a chemo-mechanical Markov model incorporating essential conformational and chemical degrees of freedom. By systematically evaluating over 14,000 model variants via Bayesian inference and cross-validation, we find that a fully functional minimal model ...