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A guide to benchmarking enzymatically catalysed reactions: the importance of accurate reference energies and the chemical environment

Published Online: 2021-05-24

Published Print: 2021-06

Authors

Wappett, Dominique A. https://orcid.org/0000-0002-3459-7250
Goerigk, Lars https://orcid.org/0000-0003-3155-675X
Funding

Funding for this research was provided by:

National Computational Infrastructure (fk5)
License Information

Text and Data Mining valid from 2021-05-24

Version of Record valid from 2021-05-24
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Article History

Received: 2 December 2020

Accepted: 29 April 2021

First Online: 24 May 2021

Declarations

:

: The authors declare that they have no conflict of interest.

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