Dataset for: Dynamic tunnel accessibility supports the inhibition mechanism of xanthine oxidase by a food-derived octapeptide SRGQIEEL

Raw experimental data and computational analysis results supporting the manuscript submitted to the International Journal of Biological Macromolecules. Contents include: XO inhibition assays (dose-response, ultrafiltration fractions, HPLC fractions, synthesized SRGQIEEL IC50), enzyme kinetics (raw A295 time courses, V0 calculations, Lineweaver-Burk analysis, global nonlinear fitting with AICc model comparison), molecular docking results (AutoDock Vina 1.2.5, 4 binding sites × 2 bovine XO conformations), 100 ns molecular dynamics simulation analysis (GROMACS 2025.2, CHARMM36m, RMSD/Rg/RMSF), MM-PBSA binding free energies (gmx_MMPBSA), and dynamic tunnel analysis (201 frames per system, bottleneck diameter time series). Dataset comprises a single Excel workbook with 30 sheets.