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All-atom simulations of BBL. (a) Cα-RMSD of BBL with respect to the native Muñoz structure during a 20-ns explicit water, pH 7 simulation of BBL starting with the native Fersht structure. (b) Cα-RMSD of BBL with respect to the native Fersht structure during a 20-ns 200 mM NaCl explicit water simulation of BBL starting with the native Fersht structure.
