A computational study of co-inhibitory immune complex assembly at the interface between T cells and antigen presenting cells
Fig 6
The dynamics of the system with all four proteins in the network was simulated.
We changed the binding affinities of the PD-1/PD-L1 trans-interactions in two scenarios. In the first scenario, moderate binding affinities of -7kT were assigned to all the other interaction, while strong affinities of -13kT were assigned to all the other interactions in the second scenario. The numbers of all types of interactions obtained under different values of PD-1/PD-L1 trans-interactions are plotted in (A) and (B) for the first and second scenarios, respectively. Final configurations from these two scenarios were also plotted in (C) and (D). Detailed structure of three clusters formed along the simulation trajectories are displayed in (E), (F) and (G).