Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico
Sign Up to like & getrecommendations! Published in 2020 at "Nature Communications"
DOI: 10.1038/s41467-020-18619-x
Abstract: The creation of artificial enzymes is a key objective of computational protein design. Although de novo enzymes have been successfully designed, these exhibit low catalytic efficiencies, requiring directed evolution to improve activity. Here, we use… read more here.
Keywords: evolution; enzyme design; based enzyme; directed evolution ... See more keywords
The importance of catalytic promiscuity for enzyme design and evolution
Sign Up to like & getrecommendations! Published in 2019 at "Nature Reviews Chemistry"
DOI: 10.1038/s41570-019-0143-x
Abstract: The ability of one enzyme to catalyse multiple, mechanistically distinct transformations likely played a crucial role in organisms’ abilities to adapt to changing external stimuli in the past and can still be observed in extant… read more here.
Keywords: importance catalytic; evolution; enzyme design; promiscuity ... See more keywords
Enhancing computational enzyme design by a maximum entropy strategy
Sign Up to like & getrecommendations! Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2122355119
Abstract: Significance Designing efficient enzymes could contribute to a sustainable future. Current computational approaches, including physics-based and machine learning–based design, have not led to a robust enzyme design. Predicting enzyme catalytic power is the crucial step… read more here.
Keywords: physics; computational enzyme; design; maximum entropy ... See more keywords
A review of enzyme design in catalytic stability by artificial intelligence.
Sign Up to like & getrecommendations! Published in 2023 at "Briefings in bioinformatics"
DOI: 10.1093/bib/bbad065
Abstract: The design of enzyme catalytic stability is of great significance in medicine and industry. However, traditional methods are time-consuming and costly. Hence, a growing number of complementary computational tools have been developed, e.g. ESMFold, AlphaFold2,… read more here.
Keywords: enzyme design; artificial intelligence; design; stability ... See more keywords