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. Author manuscript; available in PMC: 2015 Jun 17.
Published in final edited form as: J Phys Chem B. 2010 Oct 28;114(42):13574–13584. doi: 10.1021/jp106981c

Figure 5.

Figure 5

MD simulations of partitioning dynamics of 5M-PyIn-0 in a POPC bilayer are shown for different simulation periods. Snapshots of the MD system consisting of a hydrated POPC bilayer and eight molecules of 5M-PyIn-0, with four molecules on the top and bottom leaflet of the bilayer, are taken after t = 0, 20, and 50 ns of MD sampling. The molecules of 5M-PyIn-0 are drawn in van der Waals representation. Phosphorus atoms of POPC molecules are shown by cyan balls. For clarity, water molecules are not shown.