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19/07/2023

In two new papers CEPLAS member Martin Lercher and his team (HHU) describe how to predict enzymatic reactions using AI methods.

figure: enzymatic reactions
For most proteins annotated as enzymes, it is unknown which primary and/or secondary reactions they catalyze.

In one of the papers, published in the Journal Nature Communications, the researchers present TurNuP, a general and organism-independent model that successfully predicts turnover numbers for natural reactions of wild-type enzymes.

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In the other paper, also published in Nature Communications, they present ESP, a general machine-learning model for the prediction of enzyme-substrate pairs.

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