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

524 citations
5796 registered users
68821x CAVER downloaded

news

January 18, 2017

CAVER was cited in the NATURE journal in article Structure of a CLC chloride ion channel by...

Read more

January 18, 2017

CAVER was cited in the NATURE journal in article Crystal structure of the epithelial calcium channel...

Read more

January 18, 2017

CAVER was cited in the NATURE journal in article Structural basis of Smoothened regulation by its...

Read more


other tools

acknowledgement