AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors
Domiziana Cecchini, AkshatKumar Nigam, Ming Tang, Joana Reis, Matt Koop, Andrea Gottinger, Callum Robert Nicoll, Yao Wang, Abhilash Jayaraj, Suleyman Selim Cinaroglu, Ricarda Törner, Yehor S. Malets, Minko Gehev, Krishna M. Padmanabha Das, Kelly Churion, , Christoph Gorgulla
AdaptiveFlow enables large-scale virtual screening of 69 billion molecules to discover validated FSP1 inhibitors, improving efficiency and scalability in drug discovery.
bioRxiv · Apr 25, 2023 · PreprintBioinformatics