Recent Trends in Quantum Chemical Modeling of Enzymatic Reactions

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...

Full description

Saved in:
Bibliographic Details
Published inJournal of the American Chemical Society Vol. 139; no. 20; pp. 6780 - 6786
Main Author Himo, Fahmi
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 24.05.2017
Subjects
enzymatic reactions
mechanistic models
quantum mechanics
Online AccessGet full text

Cover

More Information
Summary: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.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:0002-7863
1520-5126
1520-5126
DOI:10.1021/jacs.7b02671