Computational Tools for Designing and Engineering Biocatalysts

Authors

Damborský, J., Brezovský, J.

Source

Current Opinion in Chemical Biology 13

Abstract

Current computational tools to assist experimentalists for the design and engineering of proteins with desired catalytic properties are reviewed. The applications of these tools for de novo design of protein active sites, optimization of substrate access and product exit pathways, redesign of protein-protein interfaces, identification of neutral/advantageous/deleterious mutations in the libraries from directed evolution and stabilization of protein structures are described. Remarkable progress is seen in de novo design of enzymes catalyzing a chemical reaction for which a natural biocatalyst does not exist. Yet, constructed biocatalysts do not match natural enzymes in their efficiency, suggesting that more research is needed to capture all the important features of natural biocatalysts in theoretical designs.

Source

Damborský, J., Brezovský, J.: Computational Tools for Designing and Engineering Biocatalysts, Current Opinion in Chemical Biology , 13, 26-34, 2009.
[BibTeX] [PDF]


sign in

E-mail:
Password:   

Create new user account

Forgot your password? Please contact us at caver@caver.cz.

user statistics

994 citations
6071 registered users
111462x CAVER downloaded

news

July 13, 2021

CAVER was recently cited in by the paper entitled Crystal structure of a key enzyme for anaerobic...

Read more

CAVER was recently cited in the NATURE Communications article entitled Structures of a non-ribosomal...

Read more

CAVER was cited in NATURE Communications in the article Structure-guided insights into heterocyclic...

Read more


other tools

acknowledgement