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bioRxiv · 10.1101/2023.03.06.531396

Accurate modeling of peptide-MHC structures with AlphaFold

Mikhaylov, V.·Levine, A. J.
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Abstract

Major histocompatibility complex (MHC) proteins present peptides on the cell surface for T-cell surveillance. Reliable in silico prediction of which peptides would be presented and which T-cell receptors would recognize them is an important problem in structural immunology. Here, we introduce an AlphaFold-based pipeline for predicting the three-dimensional structures of peptide-MHC complexes for class I and class II MHC molecules. Our method demonstrates high accuracy, outperforming existing tools in class I modeling precision and class II peptide register prediction. We explore applications of this method towards improving peptide-MHC binding prediction.

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Mikhaylov, V., Levine, A. J.. 2023-03-08. Accurate modeling of peptide-MHC structures with AlphaFold. https://doi.org/10.1101/2023.03.06.531396

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