Journal of the American Chemical Society
Journal of the American Chemical Society
5 years ago

Recent Trends in Quantum Chemical Modeling of Enzymatic Reactions

Recent Trends in Quantum Chemical Modeling of Enzymatic Reactions
Fahmi Himo
The quantum chemical cluster approach is a powerful method for investigating enzymatic reactions. Over the past two decades, a large number of highly diverse systems have been studied and a great wealth of mechanistic insight has been developed using this technique. This Perspective reviews the current status of the methodology. The latest technical developments are highlighted, and challenges are discussed. Some recent applications are presented to illustrate the capabilities and progress of this approach, and likely future directions are outlined.

Publisher URL: http://dx.doi.org/10.1021/jacs.7b02671

DOI: 10.1021/jacs.7b02671

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