Chinese Academy of Sciences scholars were invited to publish an important review of computational enzyme design in Trends magazine

 After more than 4 billion years of evolution of life, the biochemical reactions catalyzed by enzymes constitute the core basis of life activities

Figure 1.

In recent years, based on the physical and chemical principles of proteins themselves, the academic community has developed a series of computational strategies represented by RosettaDesign .

In contrast, the new functional redesign technology with the help of natural enzyme backbone has gradually come into people's field of vision.

Figure 2.

Then, the author discusses the new opportunities brought by the development of big data and artificial intelligence for enzyme design

At the end of the review article, the authors give a detailed summary of computational design methods based on the physical and chemical principles of proteins themselves and data-driven computational methods, and discuss and prospect the current limitations and future development directions of these strategies

Associate Researcher Cui Yinglu of Wu Bian Research Group, Institute of Microbiology, Chinese Academy of Sciences is the first author of this review, and Researcher Wu Bian is the corresponding author