Status report on the quantum chemical cluster approach for modeling enzyme reactions

The cluster approach is a very valuable technique for elucidating reaction mechanisms of enzymes. Here, the authors discuss the current status of this methodology, highlighting its strengths and weaknesses, and argue that it should be the method of choice for investigating enzymatic reaction mechani...

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Detalles Bibliográficos
Autores principales: Himo, Fahmi, de Visser, Sam P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Comment
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814711/
https://www.ncbi.nlm.nih.gov/pubmed/36697758
http://dx.doi.org/10.1038/s42004-022-00642-2
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author Himo, Fahmi
de Visser, Sam P.
author_facet Himo, Fahmi
de Visser, Sam P.
author_sort Himo, Fahmi
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description The cluster approach is a very valuable technique for elucidating reaction mechanisms of enzymes. Here, the authors discuss the current status of this methodology, highlighting its strengths and weaknesses, and argue that it should be the method of choice for investigating enzymatic reaction mechanisms.
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spelling pubmed-98147112023-01-10 Status report on the quantum chemical cluster approach for modeling enzyme reactions Himo, Fahmi de Visser, Sam P. Commun Chem Comment The cluster approach is a very valuable technique for elucidating reaction mechanisms of enzymes. Here, the authors discuss the current status of this methodology, highlighting its strengths and weaknesses, and argue that it should be the method of choice for investigating enzymatic reaction mechanisms. Nature Publishing Group UK 2022-03-08 /pmc/articles/PMC9814711/ /pubmed/36697758 http://dx.doi.org/10.1038/s42004-022-00642-2 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Comment
Himo, Fahmi
de Visser, Sam P.
Status report on the quantum chemical cluster approach for modeling enzyme reactions
title Status report on the quantum chemical cluster approach for modeling enzyme reactions
title_full Status report on the quantum chemical cluster approach for modeling enzyme reactions
title_fullStr Status report on the quantum chemical cluster approach for modeling enzyme reactions
title_full_unstemmed Status report on the quantum chemical cluster approach for modeling enzyme reactions
title_short Status report on the quantum chemical cluster approach for modeling enzyme reactions
title_sort status report on the quantum chemical cluster approach for modeling enzyme reactions
topic Comment
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814711/
https://www.ncbi.nlm.nih.gov/pubmed/36697758
http://dx.doi.org/10.1038/s42004-022-00642-2
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