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-Reference-Cited by-同舟云学术

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

Published:2017-06-22 Issue:26 Volume:121 Page:6295-6312
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Kwapien Karolina¹²,Damergi Mirna³⁴,Nader Serge¹⁴,El Khoury Léa³⁴,Hobaika Zeina⁴,Maroun Richard G.⁴,Piquemal Jean-Philip³⁵⁶^ORCID,Gavara Laurent⁷,Berthomieu Dorothée²,Hernandez Jean-François⁷,Gresh Nohad³^ORCID

Affiliation:

1. Chemistry and Biology, Nucléo(s)tides and Immunology for Therapy (CBNIT), UMR 8601, CNRS, UFR Biomédicale, Paris, France

2. Institut Charles-Gerhardt, MACS, UMR 5253 CNRS-ENSCM-UM, 8 rue de l’Ecole Normale, 34296 Montpellier Cedex 5, France

3. Laboratoire de Chimie Théorique, Sorbonne Universités, UPMC, UMR7616 CNRS, Paris, France

4. Centre d’Analyses et de Recherche, UR EGFEM, LSIM, Faculté des Sciences, Saint Joseph University of Beirut, BP 11-514, Riad El Solh, Beirut 1116-2050, Lebanon

5. Institut Universitaire de France, Paris Cedex 05, 75231, France

6. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

7. Institut des Biomolécules Max Mousseron, UMR 5247 CNRS, Faculté de Pharmacie, Université de Montpellier, ENSCM, 15 avenue Charles Flahault, 34093 Montpellier, France

Funder

Agence Nationale de la Recherche

Campus France

Conseil National de la Recherche Scientifique

Centre National de la Recherche Scientifique

Coop?ration pour l??valuation et le D?veloppement de la Recherche

Conseil de Recherche, Universit? Saint-Joseph de Beyrouth

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

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