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 - Archive ouverte HAL Access content directly
Journal Articles Journal of Physical Chemistry B Year : 2017

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

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Theoretical and/or physical chemistry

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https://hal.science/hal-02126854

Submitted on : Monday, May 13, 2019-6:41:55 AM

Last modification on : Wednesday, July 17, 2024-8:30:30 AM

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hal-02126854 , version 1 (13-05-2019)

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Karolina Kwapien, Mirna Damergi, Serge Nader, Léa El Khoury, Zeina Hobaika, et al.. 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. Journal of Physical Chemistry B, 2017, 121 (26), pp.6295-6312. ⟨10.1021/acs.jpcb.7b01053⟩. ⟨hal-02126854⟩

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