Computational design of a highly active artificial enzyme from a protein structural ensemble (IMAGE)

University of Ottawa

Computational design of a highly active artificial enzyme from a protein structural ensemble

Caption

Computational enzyme design aims to create a catalytic site for a chemical reaction of interest into an inert protein scaffold. This is done by optimizing the position and interactions between a theoretical enzyme ('theozyme') and an ensemble of protein templates. This method has the potential to create a highly active artificial enzyme.

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Rojo Rakotoharisoa

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