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. 2016 Feb 2;110(3):534–544. doi: 10.1016/j.bpj.2015.11.3527

Table 3.

Binding Free Energies Relative to x-S

c-NS c-S EC1-Min EC1-Maj EC1-Cro EC2-Min EC3-Min EC3-Maj
ΔΔGele,MD 87 32 32 43 60 21 12 37
ΔΔGnp,MD 9 8 25 23 30 34 35 24
ΔΔEvdw,MD 98 64 172 212 282 267 299 217
−TΔΔSMD 52 37 29 65 41 31 14 56
ΔΔGtot,MD 246 141 258 343 413 353 360 334

Free energies are in kJ/mol.