Predictive modelling of angiotensin converting enzyme inhibitory dipeptides

► All potentially available dipeptides have been docked with ACE using AutoDock Vina. ► ACE inhibitory activity has been correlated with Vina Scores. ► Peptide intestinal stability was assessed in silico. ► Highly ranked ligands (Vina Scores < −8.1) were modelled using LIGPLOT analysis. ► Two new highly potent ACE inhibitory dipeptides, Asp-Trp and Trp-Pro, were identified.