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. 2020 Sep 28;12(10):2235. doi: 10.3390/polym12102235

Table 5.

Information of SIE free energy calculations for UEV domain protein.

Cyclic Peptides CP1 CP2 CP3
Inter vdW −32.54 ± 0.41 −28.16 ± 0.17 −31.42 ± 0.42
Inter Coulomb −41.37 ± 0.15 −38.45 ± 0.23 −45.94 ± 0.13
Reaction Field 64.32 ± 0.81 62.11 ± 0.15 62.54 ± 0.26
Cavity −20.68 ± 0.17 −18.64 ± 0.13 −19.85 ± 0.19
Constant −2.89 −2.89 −2.89
△GBinding (kcal/mol) −6.05 ± 0.14 −5.31 ± 0.16 −6.52 ± 0.11