Simulation design of a binding-pocket structure of natural enzymes in MOFs for enhanced catalytic activity.

We demonstrated that the activity gap between metal–organic frameworks (Fe) and horseradish peroxidase could be bridged by simulating the binding-pocket structure and adding active centers. This customized structure promoted the activation and enrichment of substrates, and addition of gold nanoparticles led to activity superposition and synergistic enhancement. [ABSTRACT FROM AUTHOR]