Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

Computational enzymology is a rapidly maturing field that is increasingly integral to understanding mechanisms of enzyme-catalyzed reactions and their practical applications. Combined quantum mechanics/molecular mechanics (QM/MM) methods are important in this field. By treating the reacting species...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Biochemistry (Easton) 2013-04, Vol.52 (16), p.2708-2728
Hauptverfasser:	van der Kamp, Marc W, Mulholland, Adrian J
Format:	Artikel
Sprache:	eng
Schlagworte:	Acetylcholinesterase - chemistry Acetylcholinesterase - metabolism Amidohydrolases - chemistry Amidohydrolases - metabolism Biochemistry - methods Butyrylcholinesterase - chemistry Butyrylcholinesterase - metabolism Catalysis Drug Design Drug Resistance Enzymes - chemistry Enzymes - genetics Enzymes - metabolism HIV Protease - chemistry HIV Protease - metabolism Models, Chemical Molecular Dynamics Simulation Quantum Theory
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!