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. 2017 Mar 28;7:45292. doi: 10.1038/srep45292

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Copyright © 2017, The Author(s)

This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/

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Snapshot of interaction of thiol coated neutral hydrophobic, anionic and cationic 3 nm AuNP with skin bilayer in the end of 3 μs unconstrained simulation run. The head groups of lipids (CER, CHOL and FFA), CER tail, CHOL aromatic rings, FFA tail, thiol chain and AuNP are shown in green, magenta, red, blue, yellow and dark green color respectively. The anionic and cationic AuNP are shown in VDW style and thiol chains of these AuNPs were represented by pink and cyan color respectively. Water molecules were removed for the purpose of clarity. Images/snapshots were created using the VMD software⁵⁹.