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. 2013 Aug 7;9(11):5098–5115. doi: 10.1021/ct400383v

Table 1. Calculated Thermodynamic Changes (kcal/mol) upon Binding for the Five Tested HIV-1 Protease Inhibitors.

  KB-98 AD-93 KB-92 AD-94 AD-86
ΔG –24.3 –26.0 –19.8 –19.5 –20.1
ΔH –46.9 –49.7 –44.5 –45.6 –45.1
TΔS 22.6 23.7 24.8 26.1 24.96
no. rot. bonds 13 14 15 15 17