"Intermolecular interactions of the extended recognition site of VIM-2 ..."

Karolina Kwapien et al. (2021)

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DOI: 10.1002/JCC.26437

access: closed

type: Journal Article

metadata version: 2022-10-02

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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. J. Comput. Chem. 42(2): 86-106 (2021)

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