Related Experiment Video
Updated: May 23, 2025

A Protocol for Computer-Based Protein Structure and Function Prediction
Published on: November 3, 2011
Artificial Intelligence Technology Assists Enzyme Prediction and Rational Design
Yuhang Wang1, Shuangxin Han1, Yi Wang2
1The Key Laboratory of Carbohydrate Chemistry and Biotechnology, Ministry of Education, School of Biotechnology, Jiangnan University, Wuxi 214126, China.
Abstract:
Since the structure of enzymes determines their function, elucidating the structure of enzymes lays a solid foundation for deciphering their catalytic mechanism and enabling rational design. The development of artificial intelligence (AI) has sparked a technological revolution, infusing new vitality into theoretical studies of enzymology and the advancement of enzyme engineering techniques. This Review outlines the development process and main methods of AI applied in the structural elucidation and functional prediction of enzymes. Furthermore, it emphasizes AI-based rational design of enzymes and provides a detailed exposition of representative AI algorithms and case studies. With the support of AI technology, the comprehension of enzyme structure and function and their relationship will become deeper and more efficient, thereby promoting the widespread application of enzyme engineering in various fields.
Related Concept Videos
Catalytically Perfect Enzymes
Most enzymes...
Enzymes
Enzyme deficiencies can often translate into life-threatening diseases. For example, a genetic abnormality resulting in the deficiency of the enzyme G6PD...
Protein-protein Interfaces
Introduction to Mechanisms of Enzyme Catalysis
Induced-fit Model
Enzymes exhibit substrate specificity, meaning that they can only bind to certain substrates. This is mainly determined by the shape and chemical...
Ribozymes
Ribozymes can...

