Author

E. O'Neill

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Open access Sep 2026

AI-enhanced adaptive virtual screening of large libraries for ligand discovery.

AdaptiveFlow enables drug discovery at unprecedented scale and supports the development of AI-driven methods, and identifies nanomolar inhibitors of two disease-relevant targets, ferroptosis suppressor protein 1 and poly(ADP-ribose) polymerase 1.

Domiziana Cecchini, AkshatKumar Nigam, Ming Tang et al. · Nature Biotechnology · 1 citation