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. 2020 Sep 19;25(18):4299. doi: 10.3390/molecules25184299

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© 2020 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Cholesterol occupancy (i.e., percentage of frames where the lipid is in contact with a given residue (0–100%)) for (A) mTSPO, mTSPO_mon and (B) mTSPO(Rs), mTSPO(Rs)_mon in both OMM and chl_mem. The analysis was performed on the equilibrated part of the trajectory, that is, the last 6 μs. Labeling of the helices is done only on the top view of each system for clarity. (C) Selected snapshots from our simulations illustrating cholesterol position at the protein surface for mTSPO, mTSPO_mon, mTSPO(Rs) and mTSPO(Rs)_mon in OMM membrane.