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. 2018 Mar 1;3(3):2498–2507. doi: 10.1021/acsomega.7b01759

Figure 7.

Figure 7

(a) Snapshots of 16 mangostin molecules with a membrane patch of 128 lipid molecules after 1 μs MD simulation showing the formation of transmembrane aggregates. Water molecules that penetrated into the lipid tail region are denoted as orange sticks. (b) Number of intermolecular hydrogen bonds formed between the mangostin molecules along the 1 μs MD simulation.