Molecular BiologybioRxivPreprint
✦ In-depth digest
Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction
Saro Passaro, Gabriele Corso, Jeremy Wohlwend…·Regina Barzilay
Boltz-2 predicts protein–ligand affinity from its co-folded structures, nearing free-energy perturbation accuracy (average Pearson 0.66 on a 4-target FEP+ subset) at over 1000× lower compute.