A computational study of co-inhibitory immune complex assembly at the interface between T cells and antigen presenting cells
Fig 2
We started our simulations from a simple system which only contains receptor CTLA-4 and its ligand B7.
The kinetics profiles of protein-protein interactions in an initial test are plotted in (A) as a function of simulation time. Some representative snapshots were selected along the simulation trajectory. The same color code and representation are used as before. The initial configuration is shown in (B). The simulation shows that small linear oligomers (C) can grow into two-dimensional clusters (D). These small clusters finally merged into a single large cluster (E). The close-up view of a linear oligomer and a two-dimensional cluster are further plotted in (F) and (G), respectively.