Targeted finetuning enables co-folding models to learn ligand-induced protein conformational states
Advances in protein structure prediction have enabled all-atom protein-ligand co-folding models that predict bound conformations directly from sequence and small-molecule structure. However, these models often fail to generalize to novel binding sites or alternative protein conformational states, limiting their utility for chemical biology and drug discovery. Here we show this limitation reflects…
We haven't written up this one. bioRxiv has the full story — the link below goes straight to it.
