Mechanism-guided Discovery of Fluoroacetate Dehalogenase (FAcD) Variants for Enzymatic PFAS Defluorination
Shaban Ahmad, Asal Forouzandeh, Benedetta Togni, Jonas Borup Randløv, Michael Ogden, Tue Kjærgaard Nielsen
The paper presents DeFluorX, a pipeline using Boltz-2 to identify FAcD variants for PFAS defluorination by analyzing geometric and energetic factors in enzyme-PFAS complexes.
bioRxiv · Oct 16, 2026 · PreprintBioinformatics