Human MHC-I peptide-loading complex

The MHC-I peptide-loading complex (PLC) is a cornerstone of the human adaptive immune system, being responsible for processing antigens that allow killer T-cells to distinguish between healthy and compromised cells. Based on a recent low-resolution cryo-EM structure of this large membrane-bound protein complex, we report an atomistic model of the PLC and study its conformational dynamics on the multi-microsecond timescale using all-atom molecular dynamics (MD) simulations in explicit lipid bilayer and water environment.
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