The Lennard Jones (LJ), electrostatic (elec), and binding energies between different components (all in kJ mol⁻¹).

System	pH	LJ	Elec	Binding
GOX-DOX	7.4	−206.193	−212.908	−419.101
pGOX-DOX	5.0	−4.943	−6.922	−11.865
GOX/PMLA-ami-DOX	7.4	−10.725	5.897	−4.828
pGOX/PMLA-ami-DOX	5.0	−57.315	105.387	48.072
GOX/PMLA-hz-DOX	7.4	−132.092	−1078.17	−1210.262
pGOX/PMLA-hz-DOX	5.0	−37.926	−99.723	−137.649