Fig. 4. Superimposed structures of carbonic anhydrase VI complexed with (A) kaempferol 3-rutinoside-4-glucoside, (B) aloe-emodin 8-glucoside, and (C) cynarin before and after 40-ns molecular dynamic (MD) simulations. Green and brown represent the protein chain before and after MD simulations, respectively. Blue and red represent small molecules before and after MD simulations, respectively.
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