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Classification of class I MHC–peptide complex immunogenicity based on molecular dynamics data. (A) MHC–peptide complex system subjected to MD simulation and class-differentiating observables distinguished by protein–peptide complex dynamics. (B) MD-graph deep learning architecture for MHC–peptide complex classification. (C) Performance comparison of MD-SASA, MD-Graph and sequence deep learning methods on the full A02 dataset.
