John A. Altin

Whether a T cell receptor recognizes a given antigen has usually been settled by binding assays or tetramer staining, one receptor at a time. Researchers instead used AlphaFold 3 to predict the peptide-MHC-receptor triad and scored the predicted alignment error at the receptor-peptide-MHC interface. On held-out sets excluded from training, the antigen-centric area under the ROC curve had a median of 0.92 for class I and 0.81 for class II, 0.24 to 0.33 AUC units above the earlier AF2-multimer model.

Whether a T cell receptor recognizes a given antigen has usually been settled by binding assays or tetramer staining, one receptor at a time. Researchers instead used AlphaFold 3 to predict the peptide-MHC-receptor triad and scored the predicted alignment error at the receptor-peptide-MHC interface. On held-out sets excluded from training, the antigen-centric area under the ROC curve had a median of 0.92 for class I and 0.81 for class II, 0.24 to 0.33 AUC units above the earlier AF2-multimer model.