ZFIN Image: Stępnik et al., 2023, Figure 4

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Figure Caption

Figure 4

(left) The 1D free energy profiles accompanying the OA molecule movement through the system, including lipid bilayer. The systems contained two types of uniform bilayers: comprising POPC (red lines), or POPG (green lines). The associated error values (shown as vertical bars) were determined using bootstrapping. (right) The most favorable binding pose of the OA molecule interacting with AChE. The OA molecule is visualized as ball-and-stick, while amino acid residues in close proximity (within a distance of 0.38 nm) are depicted as thin sticks. Further details about the types of interactions are available in the text. The residue numbering is consistent with the PDB:3EVE record.

Acknowledgments

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