Integrated in silico evaluation of chrysin and diacetylchrysin identifies potential modulation of multiple targets implicated in interstitial lung disease pathogenesis

This dataset contains molecular docking outputs, molecular dynamics simulation analyses, processed trajectory data, ligand structures, and supplementary computational files associated with the study evaluating chrysin and diacetylchrysin as potential modulators of fibrosis-associated signaling pathways in interstitial lung disease.