The Evoformer can calculate ligand-binding residues

Summary

The Evoformer can figure out which residues are most likely to bind ligands, which is expressed in its residue pair representation (1). This is followed by a single dense layer and logistic regression.

Figures

Ref (1)

See also

• ESM-IF representations can predict if residue binds ligands

1.

Gazizov A, Lian A, Goverde C, Ovchinnikov S, Polizzi NF. AF2BIND: Predicting ligand-binding sites using the pair representation of AlphaFold2. openRxiv; 2023. Available from: https://doi.org/10.1101/2023.10.15.562410