From directed evolution to computational enzyme engineering—A review
Sign Up to like & getrecommendations! Published in 2019 at "AIChE Journal"
DOI: 10.1002/aic.16847
Abstract: Funding information Division of Chemical, Bioengineering, Environmental, and Transport Systems, Grant/ Award Number: CBET-1703274 Abstract Nature relies on a wide range of enzymes with specific biocatalytic roles to carry out much of the chemistry needed… read more here.
Keywords: computational enzyme; engineering; chemistry; evolution computational ... 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