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Cyclosporin A was studied using conventional MD, accelerated MD, and CoCo-MD.196 N-methylated residues are underlined; Bmt: butenyl-methyl-threonine; Abu: aminobutyric acid. With the same total simulation lengths (20 ns), CoCo-MD identified 9,822 conformational states, while conventional MD identified 2,224 states, and accelerated MD found 5,912 states.
