From First Principles to Function: How AI Is Reshaping Enzyme Design
Abstract
Artificial intelligence is rapidly transforming everyday life and driving major advances across science. De novo enzyme design is an area of particular promise, with implications for medicine, biotechnology, and industry. Recent applications of AI-enhanced methodologies have yielded a range of enzymes with catalytic activities that were previously unattainable through conventional approaches. This perspective surveys emerging strategies and computational models that are redefining enzyme engineering and examines the opportunities and challenges on the path toward truly on-demand enzyme design.
Fields of Study & Subjects
Enzyme Catalysis and Immobilization
Cyclopropane Reaction Mechanisms
Enzyme Structure and Function
Publication details
- Journal / source
- Biochemistry
- Publisher
- American Chemical Society (ACS)
- Volume
- 65
- Issue
- 14
- Pages
- 2202–2212
- Publication date
- 9 July 2026
- Language
- EN