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Quantum chemical modeling of the reaction path of chorismate mutase based on the experimental substrate/product complex

Chorismate mutase is a well‐known model enzyme, catalyzing the Claisen rearrangement of chorismate to prephenate. Recent high‐resolution crystal structures along the reaction coordinate of this enzyme enabled computational analyses at unprecedented detail. Using quantum chemical simulations, we inve...

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Detalles Bibliográficos
Autores principales:	Burschowsky, Daniel, Krengel, Ute, Uggerud, Einar, Balcells, David
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2017
Materias:	Research Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458464/ https://www.ncbi.nlm.nih.gov/pubmed/28593134 http://dx.doi.org/10.1002/2211-5463.12224

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