| Decoys selection in benchmarking datasets: overview and perspectives M Réau, F Langenfeld, JF Zagury, N Lagarde, M Montes Frontiers in Pharmacology 9, 11, 2018 | 98 | 2018 |
| Benchmarking data sets for the evaluation of virtual ligand screening methods: review and perspectives N Lagarde, JF Zagury, M Montes Journal of chemical information and modeling 55 (7), 1297-1307, 2015 | 91 | 2015 |
| Update on COX-2 selective inhibitors: Chemical classification, side effects and their use in cancers and neuronal diseases AM Rayar, N Lagarde, C Ferroud, JF Zagury, M Montes, ... Current topics in medicinal chemistry 17 (26), 2935-2956, 2017 | 79 | 2017 |
| NRLiSt BDB, the manually curated nuclear receptors ligands and structures benchmarking database N Lagarde, N Ben Nasr, A Jérémie, H Guillemain, V Laville, T Labib, ... Journal of medicinal chemistry 57 (7), 3117-3125, 2014 | 53 | 2014 |
| High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling TJ Inizan, F Célerse, O Adjoua, D El Ahdab, LH Jolly, C Liu, P Ren, ... Chemical Science 12 (13), 4889-4907, 2021 | 46 | 2021 |
| Analysis of protein missense alterations by combining sequence‐and structure‐based methods A Gyulkhandanyan, AR Rezaie, L Roumenina, N Lagarde, ... Molecular genetics & genomic medicine 8 (4), e1166, 2020 | 46 | 2020 |
| New CXCR1/CXCR2 inhibitors represent an effective treatment for kidney or head and neck cancers sensitive or refractory to reference treatments M Dufies, O Grytsai, C Ronco, O Camara, D Ambrosetti, A Hagege, ... Theranostics 9 (18), 5332, 2019 | 43 | 2019 |
| Multiple structures for virtual ligand screening: defining binding site properties-based criteria to optimize the selection of the query N Ben Nasr, H Guillemain, N Lagarde, JF Zagury, M Montes Journal of chemical information and modeling 53 (2), 293-311, 2013 | 40 | 2013 |
| Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets N Lagarde, J Rey, A Gyulkhandanyan, P Tufféry, MA Miteva, ... Oncotarget 9 (64), 32346, 2018 | 33 | 2018 |
| Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9 E Goldwaser, C Laurent, N Lagarde, S Fabrega, L Nay, BO Villoutreix, ... PLOS Computational Biology 18 (1), e1009820, 2022 | 24 | 2022 |
| A free web-based protocol to assist structure-based virtual screening experiments N Lagarde, E Goldwaser, T Pencheva, D Jereva, I Pajeva, J Rey, ... International journal of molecular sciences 20 (18), 4648, 2019 | 24 | 2019 |
| New selective cyclooxygenase-2 inhibitors from cyclocoumarol: Synthesis, characterization, biological evaluation and molecular modeling AM Rayar, N Lagarde, F Martin, F Blanchard, B Liagre, C Ferroud, ... European Journal of Medicinal Chemistry 146, 577-587, 2018 | 24 | 2018 |
| Nuclear Receptors Database Including Negative Data (NR-DBIND): A Database Dedicated to Nuclear Receptors Binding Data Including Negative Data and Pharmacological Profile … M Réau, N Lagarde, JF Zagury, M Montes Journal of Medicinal Chemistry 62 (6), 2894-2904, 2018 | 23 | 2018 |
| α-and β-hydrazino acid-based pseudopeptides inhibit the chymotrypsin-like activity of the eukaryotic 20S proteasome A Bordessa, M Keita, X Maréchal, L Formicola, N Lagarde, J Rodrigo, ... European Journal of Medicinal Chemistry 70, 505-524, 2013 | 23 | 2013 |
| Neuropilin 1 and Neuropilin 2 gene invalidation or pharmacological inhibition reveals their relevance for the treatment of metastatic renal cell carcinoma A Dumond, E Brachet, J Durivault, V Vial, AK Puszko, Y Lepelletier, ... Journal of experimental & clinical cancer research 40 (1), 1-18, 2021 | 15 | 2021 |
| Méthodes de criblage virtuel in silico: importance de l’évaluation et application à la recherche de nouveaux inhibiteurs de l’interleukine 6. N Lagarde Paris, CNAM, 2014 | 15 | 2014 |
| Pegylated triarylmethanes: Synthesis, antimicrobial activity, anti-proliferative behavior and in silico studies C Ricco, F Abdmouleh, C Riccobono, L Guenineche, F Martin, ... Bioorganic Chemistry 96, 103591, 2020 | 13 | 2020 |
| Hidden partners: using cross‐docking calculations to predict binding sites for proteins with multiple interactions N Lagarde, A Carbone, S Sacquin‐Mora Proteins: Structure, Function, and Bioinformatics 86 (7), 723-737, 2018 | 13 | 2018 |
| Discriminating agonist from antagonist ligands of the nuclear receptors using different chemoinformatics approaches N Lagarde, S Delahaye, A Jeremie, N Ben Nasr, H Guillemain, ... Molecular informatics 36 (10), 1700020, 2017 | 13 | 2017 |
| Predicting Potential Endocrine Disrupting Chemicals Binding to Estrogen Receptor α (ERα) Using a Pipeline Combining Structure-Based and Ligand-Based in Silico Methods A Sellami, M Montes, N Lagarde International journal of molecular sciences 22 (6), 2846, 2021 | 12 | 2021 |
Matthieu MontesProfessor, Conservatoire National des Arts et MétiersAdresse e-mail validée de cnam.fr
