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. 2022 Oct 10;9:1027223. doi: 10.3389/fmolb.2022.1027223

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Copyright © 2022 Yang, Wu, Wang, Rubino, Nickels and Cheng.

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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(A) The refined model assembled in a POPC bilayer (side view). RMSDs of (B) the H2s and (C) the H3s of the refined model. (D) The density profile of the H3s COMs along the membrane normal in the simulations of the refined model. The average position of the phosphorus atoms on the upper leaflet is shown as a dashed line for reference. (E) The initial (left) and last frame (right) of the refined model in a POPC bilayer from the AA-MD simulations. The representation and color scheme are the same as Figure 2E.