Dataset for "Transferability of a Proline-Based Screening Framework across Diverse Food Proteins for Prolyl Endopeptidase Inhibitory Peptide Discovery"

This dataset contains the data underlying the computational screening, hydrolysate validation, molecular docking, molecular dynamics characterization, allergen sequence screening, and experimental apparent IC₅₀ measurements reported in the associated manuscript. The dataset covers 1,697 proteins from four food-protein source groups, five enzymatic treatments, 8,485 protein–enzyme combinations, 20 experimental hydrolysates, 215 prioritized peptide candidates, nine MD-characterized peptides, and nine synthesized peptides evaluated experimentally for PEP inhibition.