Cross-sectional diameter of food-derived peptides correlates with xanthine oxidase binding-site preference: a multi-site docking and tunnel accessibility analysis

This dataset accompanies the manuscript: **Cross-sectional diameter of food-derived peptides correlates with xanthine oxidase binding-site preference: a multi-site docking and tunnel accessibility analysis** submitted to the *Journal of Chemical Information and Modeling* (2026). The dataset contains cross-sectional diameter calculations, multi-site molecular docking scores, and conformer robustness analysis data for 23 food-derived xanthine oxidase (XO) inhibitory peptides and 3 small-molecule controls (allopurinol, febuxostat, xanthine).