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. 2022 Oct 18;121(22):4260–4270. doi: 10.1016/j.bpj.2022.10.019

Table 1.

Average interaction potential energy of mycolactone with different components of the system.

Mycolactone interaction energies (kcal mol−1)
Lipids Water Intramolecular Total
ER −103.54 ± 0.37 −31.46 ± 0.29 −10.36 ± 0.16 −145.36
PM −105.57 ± 0.41 −20.75 ± 0.39 −13.58 ± 0.19 −139.90