Recent Trends in Quantum Chemical Modeling of Enzymatic Reactions | Zendy

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Recent Trends in Quantum Chemical Modeling of Enzymatic Reactions

Author(s) -

Fahmi Himo

Publication year - 2017

Publication title -

journal of the american chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 7.115

H-Index - 612

eISSN - 1520-5126

pISSN - 0002-7863

DOI - 10.1021/jacs.7b02671

Subject(s) - chemistry , biochemical engineering , quantum chemical , nanotechnology , management science , perspective (graphical) , computer science , engineering , artificial intelligence , molecule , organic chemistry , materials science

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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