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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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Publicat a:FEBS Open Bio
Autors principals: Burschowsky, Daniel, Krengel, Ute, Uggerud, Einar, Balcells, David
Format: Artigo
Idioma:Inglês
Publicat: John Wiley and Sons Inc. 2017
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Accés en línia: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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