Table 3.

Van der Waals energies between Mincle and the fatty acids. Averages and standard deviations for the whole simulation time.

System	Van der Waals energy [kcal/mol]
	run1	run2
C4	−5.54 ± 2.30	−6.40 ± 2.11
C8	−9.32 ± 3.31	−10.22 ± 2.77
C12	−12.62 ± 3.08	−13.11 ± 2.48
C18	−15.40 ± 3.64	−14.28 ± 4.48
2 × C4, F1	−5.87 ± 1.94	−6.13 ± 2.18
2 × C4, F2	−0.57 ± 0.87	−0.42 ± 0.70
2 × C18, F1	−12.42 ± 4.26	−14.26 ± 3.20
2 × C18, F2	−7.97 ± 4.08	−5.64 ± 2.54