Artificial Intelligence Technology Assists Enzyme Prediction and Rational Design

被引：4

作者：

Wang, Yuhang ^{[1
]}

Han, Shuangxin ^{[1
]}

Wang, Yi ^{[2
]}

Liang, Quanfeng ^{[3
]}

Luo, Wei ^{[1
]}

机构：

[1] Jiangnan Univ, Sch Biotechnol, Key Lab Carbohydrate Chem & Biotechnol, Minist Educ, Wuxi 214126, Peoples R China

[2] Univ Calif Davis, Dept Biol & Agr Engn, Davis, CA 95616 USA

[3] Shandong Univ, State Key Lab Microbial Technol, Qingdao 266237, Peoples R China

来源：

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY | 2025年 / 73卷 / 12期

关键词：

enzymes; artificial intelligence; structureprediction; function prediction; rational design; COMPUTATIONAL DESIGN; PROTEIN FUNCTION; ANNOTATION; SEQUENCE;

D O I：

10.1021/acs.jafc.4c13201

中图分类号：

S [农业科学];

学科分类号：

09 ;

摘要：

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.

引用

页码：7065 / 7073

页数：9

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