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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:
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