Computational tools for designing and engineering enzymes

Authors

Damborský, J., Brezovský, J.

Source

Current Opinion in Chemical Biology 19

Abstract

Protein engineering strategies aimed at constructing enzymes with novel or improved activities, specificities, and stabilities greatly benefit from in silico methods. Computational methods can be principally grouped into three main categories: bioinformatics; molecular modelling; and de novo design. Particularly de novo protein design is experiencing rapid development, resulting in more robust and reliable predictions. A recent trend in the field is to combine several computational approaches in an interactive manner and to complement them with structural analysis and directed evolution. A detailed investigation of designed catalysts provides valuable information on the structural basis of molecular recognition, biochemical catalysis, and natural protein evolution.

Source

Damborský, J., Brezovský, J.: Computational tools for designing and engineering enzymes, Current Opinion in Chemical Biology, 19, 8-16, 2014.
[BibTeX]


sign in

E-mail:
Password:   

Create new user account

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

user statistics

1219 citations
6071 registered users
111469x CAVER downloaded

news

CAVER was recently cited by the paper Structure of Escherichia coli cytochrome bd-II type oxidase...

Read more

CAVER was cited by the paper entitled Structural dynamics in the water and proton channels of...

Read more

November 2, 2021

CAVER was recently cited by the NATURE paper entitled Dispatched uses Na+flux to power release of...

Read more


other tools

acknowledgement