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Testing high-level QM/MM methods for modeling enzyme reactions: acetyl-CoA deprotonation in citrate synthase. (2010)

First Author: Van Der Kamp MW

Attributed to: Multiscale Ensemble Computing for Modelling Biological Catalysts funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/jp104069t

PubMed Identifier: 20690673

Publication URI: http://europepmc.org/abstract/MED/20690673

Type: Journal Article/Review

Volume: 114

Parent Publication: The journal of physical chemistry. B

Issue: 34

ISSN: 1520-5207