Learned Geometry, Predicted Binding: Structurally-BasedPrediction of Peptide:MHC Binding Using AlphaFold 3 EnablesCD4 T Cell Epitope Prediction
Kamel Lahouel, Mete Mulazimoglu, Jorge Soria‐Bustos, Kameron Bates, Erin Kelley, Lawson J Woods, Kunjur Manasa Upadhyaya, Gonzalo Raúl Acevedo, Sophie Pénisson, Matteo Munini, Ehsan Variani, Margaret E. Feeney, John A. Altin, Cristian Tomasetti
The paper introduces MHCIIFold-GNN, a method combining structural modeling and graph neural networks to predict CD4 T cell epitopes, achieving state-of-the-art performance.
bioRxiv · Jul 10, 2025 · PreprintBioinformatics