Theoretical investigation on the restoring step of the carbonic anhydrase catalytic cycle for natural and promiscuous substrates
Review articleOpen access
Abstract:

Highlights•New insights in the promiscuous catalytic activity of human carbonic anhydrase.•Steered molecular dynamics of bicarbonate and ureate products.•Relationships between substrate promiscuity and enzymatic suicide.•Computational insights on the importance of enzymatic product release.

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