. 2020 Feb 26;10(14):8291–8302. doi: 10.1039/c9ra10037g

Conformational entropy of the different LL-37 simulated during this study calculated using the Schlitter's formula.⁷¹ In column 2 and 3, the differences in energy at 310 K (TΔS, where T is temperature and S is entropy) using either LL-37_rand or LL-37_α as a reference state are presented.

Simulation	Average (J K⁻¹ mol⁻¹)	Difference from LL-37_rand at 310 K (kJ mol⁻¹)	Difference from LL-37_α at 310 K (kJ mol⁻¹)
LL-37_rand	9012 (±330)	0	385^a
LL-37_α	7771 (±273)	−385^a	0
LL-37_MS	7753 (±227)	−390^a	−6
LL-37_MT1	7735 (±210)	−396^a	−11
LL-37_MT2	7498 (±205)	−469^a	−85^a

Significant result in comparison to reference state (0 point in the column), with p < 0.05.

Conformational entropy of the different LL-37 simulated during this study calculated using the Schlitter's formula.71 In column 2 and 3, the differences in energy at 310 K (TΔS, where T is temperature and S is entropy) using either LL-37rand or LL-37α as a reference state are presented.