Skip to main content
. 2020 Sep 30;5(40):25543–25551. doi: 10.1021/acsomega.0c01295

Table 3. Calculated Binding Affinities (kcal/mol) for the Analyzed Complexes of SAs with PRa,b.

complex ΔGGBSAPR1 ΔGPBSAPR1 ΔGGBSAPR2 ΔGPBSAPR2 ΔGGBSAPR ΔGPBSAPR
CSA–PR –32.1 –12.55 –24.16 –0.43 –56.26 –12.98
HSA–PR –28.95 –8.69 –24.38 –5.42 –53.34 –14.11
a

ΔGGBSAPR = ΔGGBSA + ΔGGBSAPR2.

b

ΔGPBSAPR = ΔGPBSA + ΔGPBSAPR2.