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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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Detalhes bibliográficos
Publicado no:FEBS Open Bio
Main Authors: Burschowsky, Daniel, Krengel, Ute, Uggerud, Einar, Balcells, David
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2017
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5458464/
https://ncbi.nlm.nih.gov/pubmed/28593134
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/2211-5463.12224
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