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Table 4 Theoretical binding free energies as obtained by molecular docking experiments using three different algorithms, AutoDock 4.2, AutoDock Vina and SwissDock

From: Binding interaction of a novel fluorophore with serum albumins: steady state fluorescence perturbation and molecular modeling analysis

Protein

AutoDock 4.2 (kJ mol−1)a

AutoDock Vina (kJ mol−1)

SwissDock (kJ mol−1)

BSA

−17.08 ± 0.35

−33.05

−36.15

HSA

−20.78 ± 0.44

−35.56

−35.52

  1. aThe data represent mean ± SEM