Eddy Elisée

Azetidinimines as a novel series of non-covalent broad-spectrum inhibitors of β-lactamases with submicromolar activities against carbapenemases KPC-2 (class A), NDM-1 (class B) and OXA-48 (class D)

Eugénie Romero, Saoussen Oueslati, Mohamed Benchekroun et al. · European Journal of Medicinal Chemistry · 2021 · 21 citations · Full text

Antimicrobial Drug Discovery, Class B, Non-covalent Broad-spectrum Inhibitors +11

Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations

Edithe Selwa, Eddy Elisée, Agustín Jacinto Zavala et al. · Journal of Computer-Aided Molecular Design · 2017 · 15 citations · Full text

Functional Selectivity, Medicine, Pharmacology +7

Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations

Ludovic Chaput, Edithe Selwa, Eddy Elisée et al. · Journal of Computer-Aided Molecular Design · 2018 · 13 citations · Full text

Drug Target, Biochemistry, Medicine +7

Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset

Eddy Elisée, Vytautas Gapsys, Nawel Mele et al. · Journal of Computer-Aided Molecular Design · 2019 · 13 citations · Full text

Engineering, Medicine, Molecular Biology +6

Expanding the Substrate Scope of Native Amine Dehydrogenases through <i>In Silico</i> Structural Exploration and Targeted Protein Engineering

Laurine Ducrot, Megan Bennett, Gwenaëlle André et al. · ChemCatChem · 2022 · 12 citations · Full text