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| Romero E, Oueslati S, Benchekroun M, et al. (2021) 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). European Journal of Medicinal Chemistry. 219: 113418 |
| Elisée E, Gapsys V, Mele N, et al. (2019) Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset. Journal of Computer-Aided Molecular Design. 33: 1031-1043 |
| Chaput L, Selwa E, Elisée E, et al. (2019) Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations. Journal of Computer-Aided Molecular Design. 33: 93-103 |
| Selwa E, Kenney IM, Beckstein O, et al. (2018) SAMPL6: calculation of macroscopic pK values from ab initio quantum mechanical free energies. Journal of Computer-Aided Molecular Design |
| Selwa E, Elisée E, Zavala A, et al. (2018) Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations. Journal of Computer-Aided Molecular Design. 32: 273-286 |
| Selwa E, Martiny VY, Iorga BI. (2016) Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets. Journal of Computer-Aided Molecular Design. 30: 829-839 |
| Martiny VY, Martz F, Selwa E, et al. (2016) Blind Pose Prediction, Scoring, and Affinity Ranking of the CSAR 2014 Dataset. Journal of Chemical Information and Modeling. 56: 996-1003 |