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Calibration of 1,2,4-Triazole-3-Thione, an Original Zn-Binding Group of Metallo-β-Lactamase Inhibitors. Validation of a Polarizable MM/MD Potential by Quantum Chemistry.
Kwapien, Karolina, Damergi, Mirna, Nader, Serge, El Khoury, Lea, Hobaika, Zeina, Maroun, Richard G., Piquemal, Jean-Philip, Gavara, Laurent, Berthomieu, Dorothée, Hernandez, Jean-François, Gresh, NohaLanguage:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/acs.jpcb.7b01053
Date:
June, 2017
File:
PDF, 1.80 MB
english, 2017