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EzMechanism: an automated tool to propose catalytic mechanisms of enzyme reactions

Over the years, hundreds of enzyme reaction mechanisms have been studied using experimental and simulation methods. This rich literature on biological catalysis is now ripe for use as the foundation of new knowledge-based approaches to investigate enzyme mechanisms. Here, we present a tool able to a...

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Detalles Bibliográficos
Autores principales: Ribeiro, Antonio J. M., Riziotis, Ioannis G., Tyzack, Jonathan D., Borkakoti, Neera, Thornton, Janet M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group US 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10555830/
https://www.ncbi.nlm.nih.gov/pubmed/37735566
http://dx.doi.org/10.1038/s41592-023-02006-7