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A data-driven approach to studying enzymes and nanoparticles

Bringing together materials and life sciences by understanding the dynamic nature of catalyst configuration at the atomic level

Our motivation

Chemical conversions enabled by catalysis impact many areas including energy conversion, agriculture, and environmental protection. Developing a fundamental understanding of catalytic functionality leads to new improved catalysts.

Catalytic activity in living systems is enabled by enzymes. These proteins are also often used as drug targets due to their unique roles in regulating specific
chemical processes in the cell. Developing a fundamental understanding of enzyme structure leads to new improved drugs.

This project is supported by the National Science Foundation’s Harnessing the Data Revolution (HDR) Big Idea activity.

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