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. 2021 Oct 26;8:768449. doi: 10.3389/fmolb.2021.768449

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Copyright © 2021 Makuch, Hryc, Markiewicz and Pasenkiewicz-Gierula.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Time profiles of the θ angle of (A,B) lutein molecules (A) #4; (B) #6 in the PC-LUT_H bilayer; (C) zeaxanthin molecule #1 in the PC-ZEA_H bilayer (the y-axis scale was extended to avoid plot discontinuities due to jumps to 0° when 360° is approached). Lutein molecule #4 and zeaxanthin molecule #1 rotated to the vertical position at ∼500 ns of MD simulation (cf. Figure 7 and Supplementary Figure S9) and lutein molecule #6 remained in the horizontal position during the whole simulation time.