Molecular simulations suggest how a branched antimicrobial peptide perturbs a bacterial membrane and enhances permeability

► The mode of interaction of a branched AMP B2088 with model membranes was studied. ► The simulation predictions are consistent with the surface activity model. ► High concentration of B2088 on bacterial membrane leads to enhanced permeability. ► The bidentate H bonds between Arg and PO4 groups of lipids favor binding.