Ensembles of in silico structures enable T cell peptide-MHC binding prediction
Olga Lyudovyk, JA Levine, Melissa Pathil, Stephen Martis, Artem Streltsov, Zachary M. Sethna, Yuval Elhanati, Vinod Balachandran, Quaid Morris, Benjamin D. Greenbaum
The paper introduces enFoldX, a structure-based method for predicting TCR:pMHC binding using AlphaFold3 ensembles, achieving high accuracy for cognate vs. non-cognate classification.
bioRxiv · Jul 20, 2026 · PreprintImmunology