Author

Lu Cheng

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Open access Aug 2026

ConfDock: Atom-specific Uncertainty Quantification for Molecular Docking via Conformal Prediction

Results demonstrate that combining learned, structure-aware quantile estimation with conformal calibration enables rigorous uncertainty quantification for molecular docking at atom-level resolution.

Haochang Hao, Nour Elhendawy, Yihang Wang et al. · bioRxiv · 0 citations