Fig. 4
From: The design of high affinity human PD-1 mutants by using molecular dynamics simulations (MD)
The changes of the solvent accessible surface (SAS) of PD-1/PD-L1 complexes during the MD simulations. a The decreasing of solvent accessible surface area (SASA) value of the complex indicated that the increasing of the binding size of the PD-1 during the simulation. The increasing trend of the binding interface for mouse PD-1 was bigger than human PD-1’s as indicated by SAS values. b The area of the binding interface for human PD-1 were 220 Å2 from the crystal structure (4ZQK) and the size increased to 440 Å2 after the MD simulation