Enzyme engineering: from artificial design to artificial intelligence

被引：0
|
作者：
Wang Y. [1 ]
Fu Y. [1 ]
Chen J. [1 ]
Huang J. [1 ]
Liao L. [1 ]
Zhang Y. [4 ]
Fang B. [1 ,2 ,3 ]
机构：
[1] College of Chemistry and Chemical Engineering, Xiamen University, Xiamen
[2] The Key Laboratory for Synthetic Biotechnology of Xiamen City, Xiamen University, Xiamen
[3] The Key Laboratory for Chemical Biology of Fujian Province, Xiamen
[4] College of Food and Biological Engineering, Jimei University, Xiamen
来源：
Huagong Xuebao/CIESC Journal | 2021年 / 72卷 / 07期
关键词：
Artificial intelligence; de novo design; Energy function; Enzyme engineering; Mechanism;
D O I：
10.11949/0438-1157.20201941
中图分类号：
学科分类号：
摘要：
The application of computers in enzyme engineering has led to the continuous expansion of the sequence space exploration of enzymes. With the establishment of different molecular force fields, many algorithms came out upon computing molecular energy and were applied to the enzyme redesign and screening of catalytic activity, stability, substrate specificity, etc. With the improvement of computer hardware and the optimization of algorithms, artificial enzymes with completely new functions have been successfully designed and developed. In recent years, artificial intelligence has made breakthroughs in protein structure prediction and has also been applied to enzyme design. Basis of molecular force field and enzyme design and selection algorithm were introduced in this paper. The methods and successful cases of de novo design, as well as the process of machine learning to design enzymes and the latest research progress are described emphatically. The outlooks of artificial intelligence in the enzyme engineering are given in the end, contributing for enzymatic engineering and brand-new functional biocatalysts design. © 2021, Chemical Industry Press Co., Ltd. All right reserved.
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页码：3590 / 3600
页数：10
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