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Article

Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.

Journal of the American Chemical Society - 19 Aug 2015

Heinisch Tillmann, Pellizzoni Michela, Dürrenberger Marc, Tinberg Christine E, Köhler Valentin, Klehr Juliane, Häussinger Daniel, Baker David, Ward Thomas R

Abstract excerpt

Artifical metalloenzymes combine the reactivity of small molecule catalysts with the selectivity of enzymes, and new methods are required to tune the catalytic properties of these systems for an application of interest. Structure-based computational design could help to identify amino acid mutations leading to improved catalytic activity and enantioselectivity. Here we describe the application of Rosetta Design...

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Identifiers

PMID: 26226626
DOI: 10.1021/jacs.5b06622

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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