A predictive multiscale framework for post-translational modification-dependent peptide-MHC class I binding

Xiaoning Yao1,2, Yue Gang1,2, Yaoyue Zhang1,2

  • 1School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, 116029, China.

Summary

Post-translational modifications (PTMs) finely tune antigen peptide-MHC-I binding. These modifications act as chemical switches, altering immune responses based on their location and type, as revealed by molecular dynamics simulations.

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