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Water permeation of the outer membrane caused by octapeptin C4 (A) and FADDI-115 (B). Z = 0 indicates the membrane center. The structural snapshots show the different stages of the penetration of octapeptins into the outer membrane. The octapeptin molecule is shown as blue sticks. The water molecules are shown as spheres with red oxygen atoms and white hydrogen atoms. The reaction coordinates along z axis represent the positions relative to the center of the outer membrane.
