Simulation design of a binding-pocket structure of natural enzymes in MOFs for enhanced catalytic activity.
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DOI: 10.1039/d2cc01634f
Abstract: 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,… read more here.
Keywords: simulation design; structure; pocket structure; activity ... See more keywords