Summary
Residue-level representations from ESM-IF could be used to predict whether that residue binds ligands (1). This approach is independent of structural similarity to ligands in the training set, and also works on predicted protein structures.
See also
1.
Carbery A, Buttenschoen M, Skyner R, von Delft F, Deane CM. Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures. Journal of Cheminformatics. 2024;16(1). Available from: https://doi.org/10.1186/s13321-024-00821-4