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Table 4 Theoretical binding free energies as obtained by molecular docking experiments using four different algorithms

From: Binding interaction of a gamma-aminobutyric acid derivative with serum albumin: an insight by fluorescence and molecular modeling analysis

Protein

AutoDock 4.2 (kJ mol−1)a

AutoDock Vina (kJ mol−1)

PatchDock/FireDock (kJ mol−1)

SwissDock (kJ mol−1)

BSA

−14.37 ± 0.36

−30.96

−47.85

−36.99

HSA

−17.34 ± 0.37

−33.47

−54.54

−33.22

  1. aThe data represent mean ± SEM