Laurent Gavara

According to our database, Laurent Gavara authored at least 3 papers between 2021 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

Discovering NDM-1 inhibitors using molecular substructure embeddings representations.

Thomas Papastergiou, Jérôme Azé, Sandra Bringay, Maxime Louet, Pascal Poncelet, Miyanou Rosales-Hurtado, Yen Vo-Hoang, Patricia Licznar-Fajardo, Jean-Denis Docquier, Laurent Gavara

J. Integr. Bioinform., July, 2023

2022

Multiple Instance Learning Based on Mol2vec Molecular Substructure Embeddings for Discovery of NDM-1 Inhibitors.

Thomas Papastergiou, Jérôme Azé, Sandra Bringay, Maxime Louet, Pascal Poncelet, Laurent Gavara

Proceedings of the Practical Applications of Computational Biology and Bioinformatics, 2022

2021

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.

Karolina Kwapien, Laurent Gavara, Jean-Denis Docquier, Dorothée Berthomieu, Jean-François Hernandez, Nohad Gresh

J. Comput. Chem., 2021