Early Relaxation Dynamics in the LC 13 T Cell Receptor in Reaction to 172 Altered Peptide Ligands: A Molecular Dynamics Simulation Study

摘要: The interaction between the T cell receptor and major histocompatibility complex is one of most important events in adaptive immunology. Although several different models for activation process via have been proposed, it could not be shown that a structural mechanism, which discriminates peptides immunogenicity levels, exists within receptor. In this study, we performed systematic molecular dynamics simulations 172 closely related altered peptide ligands same receptor/major system. Statistical evaluations yielded significant differences initial relaxation sets at four levels.