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Investigation of Indazole Unbinding Pathways in CYP2E1 by Molecular Dynamics Simulations

Figure 6

Snapshots of the relative positions of indazole and the protein throughout the simulation along channel 2a (A, 490 ps; B, 980 ps).

Indazole is shown as green sticks. The heme is shown as a red stick. Phe207 and Phe478 are shown as blue sticks.

Figure 6

doi: https://doi.org/10.1371/journal.pone.0033500.g006