FAPE can be extended to ligands

Summary

The loss function FAPE, used by AlphaFold2 and RosettaFold2, can be extended to ligands (1).

Figures

Ref (1)

See also

• De novo structure prediction with ligands outperforms apo de novo structure prediction alone

1.

Qiao Z, Nie W, Vahdat A, Miller TF, Anandkumar A. State-specific protein–ligand complex structure prediction with a multiscale deep generative model. Nature Machine Intelligence. 2024;6(2):195–208. Available from: https://doi.org/10.1038/s42256-024-00792-z