April 2, 2025

AI designs enzymes for green chemistry

Researchers at the University of Amsterdam (UvA) have launched a new project that uses generative AI to design entirely novel enzymes. Led by Dr. Andreas Kühn and Dr. Andreas Sandholtz from the Van ’t Hoff Institute for Molecular Sciences, the project aims to speed up and enhance the development of biocatalysts. Unlike conventional methods that rely on modifying existing enzymes, this approach allows for the creation of enzymes with tailored functions that do not yet exist in nature.

By combining deep learning with molecular simulations, the team can predict enzyme structure and activity with high accuracy. This significantly shortens the cycle between design and validation and opens the door to enzymes that can operate under extreme conditions—an asset for industries working on green chemistry, synthetic biology, or environmental remediation.

The project is funded by the Dutch Research Council (NWO) through the Open Competition ENW, and presents exciting collaboration opportunities for companies in biopharma, food technology, biotechnology, and medical devices. Potential partnerships could focus on application development, data sharing, or scaling up the AI toolset.

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