Fig. 3

Molecular simulation assessment of the trimerization tendency of trivalent constructs. a Schematic diagram for the binding process to calculate the binding free energy of a given trivalent construct. b Relative binding free energies of the trivalent constructs calculated by MM/GBSA. For F-scaffold trimers, MP-5rf was used as the reference to calculate the relative values of other constructs. For C-scaffold trimers, the reference is MP-3rc. Please see the MM/GBSA raw data in (Additional file 1: Table S2