ERalpha anthraquinone molecular dynamics inputs and analysis data V11

Simulation inputs and derived analyses supporting Molecular dynamics guides anthraquinone drug design by resolving estrogen receptor alpha recognition geometry, manuscript V11. The V11 supplement supplies 11022 frame-level geometric measurements, reconstruction and verification scripts for the instantaneous bridging bound, equation-derived ensemble analyses, fingerprint-score checks, and the updated Figure 1 data and plotting source. The unchanged V9 release provides the simulation-input archives for 34 retained conventional runs, 45 umbrella windows (708 ns nominal) and 12 shared-bias AWH walkers (87.504 ns). Coordinate trajectories and proprietary software are excluded. Derived-data checks run without trajectories; rebuilding those measurements from original coordinates requires the saved trajectories. Local prediction files retain their original project timestamps; no external registration is claimed.