Karolina Kwapien, Laurent Gavara, Jean-Denis Docquier, Dorothée Berthomieu, Jean-François Hernandez, Nohad Gresh. Intermolecular interactions of the extended recognition site of VIM-2 metallo-β-lactamase with 1, 2, 4-triazole-3-thione inhibitors. Validations of a polarizable molecular mechanics potential by ab initio QC. Journal of Computational Chemistry, 42(2):86-106, 2021. [doi]
@article{KwapienGDBHG21,
title = {Intermolecular interactions of the extended recognition site of VIM-2 metallo-β-lactamase with 1, 2, 4-triazole-3-thione inhibitors. Validations of a polarizable molecular mechanics potential by ab initio QC},
author = {Karolina Kwapien and Laurent Gavara and Jean-Denis Docquier and Dorothée Berthomieu and Jean-François Hernandez and Nohad Gresh},
year = {2021},
doi = {10.1002/jcc.26437},
url = {https://doi.org/10.1002/jcc.26437},
researchr = {https://researchr.org/publication/KwapienGDBHG21},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {42},
number = {2},
pages = {86-106},
}