Snapshots of wild type and mutant 4L72 models conformation at each 50 ns simulation time step during MD simulation.

DPP4 and MERS-CoV S protein are dyed respectively with grey and blue. Local structural changes during MD simulation in DPP4 blade IV and V were highlighted in a red square, while local structural changes during MD simulation in MERS-CoV S1 RBD were highlighted in a red circle.

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