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