Turning Noise into Signal: Predicting TCR Binding Using AlphaFold3 Hallucinations

quaidmorris · x · 2026-07-22

A major challenge in computational immunology is predicting the binding of T-cell receptors (TCRs) to peptides presented on MHC molecules (pMHCs). A research team from MSK Cancer Center has introduced a new method called enFoldX.

The researchers discovered that a lot of the signal is actually hiding in AlphaFold3's structural "hallucinations." Instead of relying on a single predicted structure, enFoldX uses the entire noisy ensemble to successfully predict TCR:pMHC binding. The preprint and public code are now available.

Related event: enFoldX: Turning AlphaFold3 Structural Noise into TCR Recognition Predictions(11 posts)→

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