Recent Trends in Quantum Chemical Modeling of Enzymatic Reactions

• Published in: Journal of the American Chemical Society Vol. 139; no. 20; pp. 6780 - 6786
• Main Author: Himo, Fahmi
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 24.05.2017
• Subjects: enzymatic reactions; mechanistic models; quantum mechanics

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 curr...