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Visualization of water molecules that potentially form a H-bonded network connecting the active site and the mouths of the aqueduct and solvent channels. For clarity, the hydrogen atoms of the heme and diazepam are not shown. Snapshots are taken (A) after 8.9 ns of substrate-free MD in the 3A4b conformer and (B) after 900 ps of the 3A4b_DIA MD.
