Large Scale Characterization of the LC13 TCR and HLA-B8 Structural Landscape in Reaction to 172 Altered Peptide Ligands: A Molecular Dynamics Simulation Study
Figure 4
Solvent accessible surface areas (nm2) of the TCRpMHC interface during the 100 ns simulations.
(A–F) The six CDRs of the TCR. (G) Peptide bound between MHC and TCR. (H) Helix 1 of the MHC. (I) Helix 2 of the MHC.