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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...
Autores principales: | Ribeiro, Antonio J. M., Riziotis, Ioannis G., Tyzack, Jonathan D., Borkakoti, Neera, Thornton, Janet M. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group US
2023
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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 |
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