Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 139, Issue 20, Pages 6780-6786Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jacs.7b02671
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Funding
- Swedish Research Council
- Goran Gustafsson Foundation
- Knut and Alice Wallenberg Foundation
- Wenner-Gren Foundations
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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.
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