Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent

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TitleCoupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent
Publication TypeJournal Article
Year of Publication2017
AuthorsDuboué-Dijon E, Pluhařová E, Domin D, Sen K, Fogarty AC, Chéron N, Laage D
JournalThe Journal of Physical Chemistry B
Volume121
Issue29
Pagination7027 - 7041
Date Published07/2017
ISSN1520-5207
DOI10.1021/acs.jpcb.7b03102
Short TitleJ. Phys. Chem. B
Unit: 
UMR 8640
Group: 
Physico-chimie Théorique