Computational Enzyme Design: Advances, hurdles and possible ways forward

This mini review addresses recent developments in computational enzyme design. Successful protocols as well as known issues and limitations are discussed from an energetic perspective. It will be argued that improved results can be obtained by including a dynamic treatment in the design protocol. Fi...

Descripción completa

Detalles Bibliográficos
Autor principal: Linder, Mats
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology (RNCSB) Organization 2012
Materias:
Mini Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3962231/
https://www.ncbi.nlm.nih.gov/pubmed/24688650
http://dx.doi.org/10.5936/csbj.201209009
_version_ 1782308404193132544
author Linder, Mats
author_facet Linder, Mats
author_sort Linder, Mats
collection PubMed
description This mini review addresses recent developments in computational enzyme design. Successful protocols as well as known issues and limitations are discussed from an energetic perspective. It will be argued that improved results can be obtained by including a dynamic treatment in the design protocol. Finally, a molecular dynamics-based approach for evaluating and refining computational designs is presented.
format Online
Article
Text
id pubmed-3962231
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher Research Network of Computational and Structural Biotechnology (RNCSB) Organization
record_format MEDLINE/PubMed
spelling pubmed-39622312014-03-31 Computational Enzyme Design: Advances, hurdles and possible ways forward Linder, Mats Comput Struct Biotechnol J Mini Review This mini review addresses recent developments in computational enzyme design. Successful protocols as well as known issues and limitations are discussed from an energetic perspective. It will be argued that improved results can be obtained by including a dynamic treatment in the design protocol. Finally, a molecular dynamics-based approach for evaluating and refining computational designs is presented. Research Network of Computational and Structural Biotechnology (RNCSB) Organization 2012-10-23 /pmc/articles/PMC3962231/ /pubmed/24688650 http://dx.doi.org/10.5936/csbj.201209009 Text en © Linder. http://creativecommons.org/licenses/by/3.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly cited.
spellingShingle Mini Review
Linder, Mats
Computational Enzyme Design: Advances, hurdles and possible ways forward
title Computational Enzyme Design: Advances, hurdles and possible ways forward
title_full Computational Enzyme Design: Advances, hurdles and possible ways forward
title_fullStr Computational Enzyme Design: Advances, hurdles and possible ways forward
title_full_unstemmed Computational Enzyme Design: Advances, hurdles and possible ways forward
title_short Computational Enzyme Design: Advances, hurdles and possible ways forward
title_sort computational enzyme design: advances, hurdles and possible ways forward
topic Mini Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3962231/
https://www.ncbi.nlm.nih.gov/pubmed/24688650
http://dx.doi.org/10.5936/csbj.201209009
work_keys_str_mv AT lindermats computationalenzymedesignadvanceshurdlesandpossiblewaysforward

Ejemplares similares