Prediction of high-order line-shape parameters for air-broadened O2 lines using requantized classical molecular dynamics simulations and comparison with measurements

•Calculations of air-broadened O2 lines using molecular dynamics simulations.•High-order line-shape parameters were retrieved from simulated spectra.•The predicted parameters were used to analyze various measured O2 lines.•An agreement with measured spectra better than 1% was obtained.•The temperature dependences of line-shape parameters were also predicted.