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0478161 - ÚOCHB 2018 RIV US eng J - Journal Article
Duboué-Dijon, Elise - Pluhařová, E. - Domin, D. - Sen, K. - Fogarty, A. C. - Chéron, N. - Laage, D.
Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent.
Journal of Physical Chemistry B. Roč. 121, č. 29 (2017), s. 7027-7041. ISSN 1520-6106. E-ISSN 1520-5207
Institutional support: RVO:61388963
Keywords : free energy calculations * purine nucleoside phosphorylase * ab initio calculations
OECD category: Physical chemistry
Impact factor: 3.146, year: 2017
Permanent Link: http://hdl.handle.net/11104/0274350