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Recent Trends in Quantum Chemical Modeling of Enzymatic Reactions
Stockholm University, Faculty of Science, Department of Organic Chemistry.
Number of Authors: 1
2017 (English)In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 139, no 20, 6780-6786 p.Article, review/survey (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2017. Vol. 139, no 20, 6780-6786 p.
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-144817DOI: 10.1021/jacs.7b02671ISI: 000402498500001PubMedID: 28493715OAI: oai:DiVA.org:su-144817DiVA: diva2:1121540
Available from: 2017-07-11 Created: 2017-07-11 Last updated: 2017-07-11Bibliographically approved

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