EXPLORING O2 DIFFUSION IN A-TYPE CYTOCHROME C OXIDASES: MOLECULAR DYNAMICS SIMULATIONS UNCOVER TWO ALTERNATIVE CHANNELS TOWARDS THE BINUCLEAR SITE.

Exploring O2 diffusion in A-type cytochrome c oxidases: molecular dynamics simulations uncover two alternative channels towards the binuclear site.

Cytochrome c oxidases (Ccoxs) are the terminal enzymes of the respiratory chain in mitochondria and most bacteria.These enzymes couple dioxygen (O2) reduction to the generation of a transmembrane electrochemical proton gradient.Despite decades of research and the availability of a large amount of structural and biochemical data available for the A-

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