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Ab initio QM/MM modelling of acetyl-CoA deprotonation in the enzyme citrate synthase. (2007)

First Author: Van Der Kamp MW

Attributed to: Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1016/j.jmgm.2007.04.002

PubMed Identifier: 17493853

Publication URI: http://europepmc.org/abstract/MED/17493853

Type: Journal Article/Review

Volume: 26

Parent Publication: Journal of molecular graphics & modelling

Issue: 3

ISSN: 1093-3263