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. Author manuscript; available in PMC: 2014 Nov 4.
Published in final edited form as: J Phys Chem B. 2013 Sep 16;117(39):11641–11653. doi: 10.1021/jp404829y

FIG. 5.

FIG. 5

(A) Schematic of the relative distances between arginine and the water molecules in top and bottom regions of the simulation cell. The dashed lines represent the lateral dimension of the smaller system for comparison. (B) Decomposition of water contribution. lg-top: the top layer water (oxygen of water greater than zero) in large membrane; lg-bottom: the bottom layer water (oxygen of water smaller than zero) in large membrane; sl-top: the top layer water in small membrane; sl-bottom: the bottom layer water in small membrane. The x-axis is the position of the center of mass of the peptide and the y-axis is the PMF arising from water acting on the peptide.