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. Author manuscript; available in PMC: 2020 Jan 8.
Published in final edited form as: J Chem Theory Comput. 2018 Dec 7;15(1):720–730. doi: 10.1021/acs.jctc.8b00882

Fig 1.

Fig 1

Snapshots in time from two simulations of a potassium ion conditioned to be at the center of a DOPC membrane. The ion is shown in yellow and the phosphate groups are shown with blue and violet spheres. The systems are equilibrated for 10ns. Water molecules are in red and white and lipid chains are in gray sticks. The snapshots do not show a symmetrical transition state and in both cases, the ion only interacts with phosphates and water molecules from one leaflet.