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. Author manuscript; available in PMC: 2018 Feb 17.
Published in final edited form as: ACS Chem Biol. 2016 Dec 22;12(2):407–413. doi: 10.1021/acschembio.6b00981

Figure 2.

Figure 2

Calculated orientation of msVF and dsVF in a POPC lipid bilayer. a) Definition of vectors used to examine angles in VF dyes. “ArylP” describes the vector parallel to the meso-aryl ring; “ArylN” describes the vector normal to the plane of the aryl ring; and “Z” is the membrane normal. Contour plots describe the the ArylP vs Z and ArylN vs Z dihedral angles for a given snapshot of the simulation for b) msVF and c) dsVF. The dotted lines serve as a visual guide for a perfect 90° orientation between the dye and the membrane normal. The distribution of dihedral angles sampled during a simulation for d) ArylP vs Z and e) ArylN vs Z are plotted for both msVF (black) and dsVF (red).