Year |
Citation |
Score |
2024 |
Plateau-Holleville C, Maria M, Merillou S, Montes M. Efficient GPU computation of large protein Solvent-Excluded Surface. Ieee Transactions On Visualization and Computer Graphics. PMID 38512738 DOI: 10.1109/TVCG.2024.3380100 |
0.586 |
|
2023 |
Plateau-Holleville C, Guionnière S, Boyer B, Jiménez-Garcia B, Levieux G, Mérillou S, Maria M, Montes M. UDock2: interactive real-time multi-body protein-protein docking software. Bioinformatics (Oxford, England). 39. PMID 37792496 DOI: 10.1093/bioinformatics/btad609 |
0.606 |
|
2022 |
Sellami A, Réau M, Montes M, Lagarde N. Review of studies dedicated to the nuclear receptor family: Therapeutic prospects and toxicological concerns. Frontiers in Endocrinology. 13: 986016. PMID 36176461 DOI: 10.3389/fendo.2022.986016 |
0.304 |
|
2022 |
El Khoury L, Jing Z, Cuzzolin A, Deplano A, Loco D, Sattarov B, Hédin F, Wendeborn S, Ho C, El Ahdab D, Jaffrelot Inizan T, Sturlese M, Sosic A, Volpiana M, Lugato A, ... ... Montes M, et al. Computationally driven discovery of SARS-CoV-2 M inhibitors: from design to experimental validation. Chemical Science. 13: 3674-3687. PMID 35432906 DOI: 10.1039/d1sc05892d |
0.55 |
|
2021 |
Machat M, Langenfeld F, Craciun D, Sirugue L, Labib T, Lagarde N, Maria M, Montes M. Comparative Evaluation of Shape Retrieval Methods on Macromolecular Surfaces: An Application of Computer Vision Methods in Structural Bioinformatics. Bioinformatics (Oxford, England). PMID 34247232 DOI: 10.1093/bioinformatics/btab511 |
0.605 |
|
2021 |
Jaffrelot Inizan T, Célerse F, Adjoua O, El Ahdab D, Jolly LH, Liu C, Ren P, Montes M, Lagarde N, Lagardère L, Monmarché P, Piquemal JP. High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling. Chemical Science. 12: 4889-4907. PMID 34168762 DOI: 10.1039/d1sc00145k |
0.488 |
|
2020 |
Langenfeld F, Peng Y, Lai Y, Rosin PL, Aderinwale T, Terashi G, Christoffer C, Kihara D, Benhabiles H, Hammoudi K, Cabani A, Windal F, Melkemi M, Giachetti A, Mylonas S, et al. SHREC 2020: Multi-domain protein shape retrieval challenge Computers & Graphics. 91: 189-198. DOI: 10.1016/J.Cag.2020.07.013 |
0.325 |
|
2019 |
Réau M, Lagarde N, Zagury JF, Montes M. Hits Discovery on the Androgen Receptor: In Silico Approaches to Identify Agonist Compounds. Cells. 8. PMID 31766271 DOI: 10.3390/Cells8111431 |
0.389 |
|
2018 |
R Eacute Au M, Lagarde N, Zagury JF, Montes M. Nuclear Receptors DataBase Including Negative Data (NR-DBIND): A database dedicated to nuclear receptors binding data including negative data and pharmacological profile. Journal of Medicinal Chemistry. PMID 30354114 DOI: 10.1021/Acs.Jmedchem.8B01105 |
0.322 |
|
2018 |
Réau M, Langenfeld F, Zagury JF, Lagarde N, Montes M. Decoys Selection in Benchmarking Datasets: Overview and Perspectives. Frontiers in Pharmacology. 9: 11. PMID 29416509 DOI: 10.3389/Fphar.2018.00011 |
0.398 |
|
2018 |
Rayar AM, Lagarde N, Martin F, Blanchard F, Liagre B, Ferroud C, Zagury JF, Montes M, Sylla-Iyarreta Veitía M. New selective cyclooxygenase-2 inhibitors from cyclocoumarol: Synthesis, characterization, biological evaluation and molecular modeling. European Journal of Medicinal Chemistry. 146: 577-587. PMID 29407982 DOI: 10.1016/J.Ejmech.2018.01.054 |
0.39 |
|
2017 |
Liu WQ, Lepelletier Y, Montes M, Borriello L, Jarray R, Grepin R, Leforban B, Loukaci A, Benhida R, Hermine O, Dufour S, Pages G, Garbay C, Raynaud F, Hadj-Slimane R, et al. NRPa-308, a new neuropilin-1 antagonist, exerts in vitro anti-angiogenic and anti-proliferative effects and in vivo anti-cancer effects in a mouse xenograft model. Cancer Letters. PMID 29111348 DOI: 10.1016/J.Canlet.2017.10.039 |
0.308 |
|
2017 |
Réau M, Langenfeld F, Zagury JF, Montes M. Predicting the affinity of Farnesoid X Receptor ligands through a hierarchical ranking protocol: a D3R Grand Challenge 2 case study. Journal of Computer-Aided Molecular Design. PMID 28913743 DOI: 10.1007/S10822-017-0063-0 |
0.411 |
|
2017 |
Rayar AM, Lagarde N, Ferroud C, Zagury JF, Montes M, Veitía MS. Update on COX-2 selective inhibitors: chemical classification, side effects and their use in cancers and neuronal diseases. Current Topics in Medicinal Chemistry. PMID 28828990 DOI: 10.2174/1568026617666170821124947 |
0.365 |
|
2017 |
Lagarde N, Delahaye S, Jérémie A, Ben Nasr N, Guillemain H, Empereur-Mot C, Laville V, Labib T, Réau M, Langenfeld F, Zagury JF, Montes M. Discriminating Agonist from Antagonist Ligands of the Nuclear Receptors Using Different Chemoinformatics Approaches. Molecular Informatics. PMID 28671755 DOI: 10.1002/Minf.201700020 |
0.398 |
|
2017 |
Mouhsine H, Guillemain H, Moreau G, Fourati N, Zerrouki C, Baron B, Desallais L, Gizzi P, Ben Nasr N, Perrier J, Ratsimandresy R, Spadoni JL, Do H, England P, Montes M, et al. Identification of an in vivo orally active dual-binding protein-protein interaction inhibitor targeting TNFα through combined in silico/in vitro/in vivo screening. Scientific Reports. 7: 3424. PMID 28611375 DOI: 10.1038/S41598-017-03427-Z |
0.429 |
|
2016 |
Empereur-Mot C, Zagury JF, Montes M. Screening Explorer-An Interactive Tool for the Analysis of Screening Results. Journal of Chemical Information and Modeling. 56: 2281-2286. PMID 27808512 DOI: 10.1021/Acs.Jcim.6B00283 |
0.381 |
|
2016 |
Lagarde N, Delahaye S, Zagury JF, Montes M. Discriminating agonist and antagonist ligands of the nuclear receptors using 3D-pharmacophores. Journal of Cheminformatics. 8: 43. PMID 27602059 DOI: 10.1186/S13321-016-0154-2 |
0.379 |
|
2015 |
Empereur-Mot C, Guillemain H, Latouche A, Zagury JF, Viallon V, Montes M. Predictiveness curves in virtual screening. Journal of Cheminformatics. 7: 52. PMID 26539250 DOI: 10.1186/S13321-015-0100-8 |
0.351 |
|
2015 |
Lagarde N, Zagury JF, Montes M. Benchmarking Data Sets for the Evaluation of Virtual Ligand Screening Methods: Review and Perspectives Journal of Chemical Information and Modeling. 55: 1297-1307. PMID 26038804 DOI: 10.1021/Acs.Jcim.5B00090 |
0.379 |
|
2014 |
Levieux G, Tiger G, Mader S, Zagury JF, Natkin S, Montes M. Udock, the interactive docking entertainment system Faraday Discussions. 169: 425-441. PMID 25341068 DOI: 10.1039/C3Fd00147D |
0.35 |
|
2014 |
Lagarde N, Zagury JF, Montes M. Importance of the pharmacological profile of the bound ligand in enrichment on nuclear receptors: toward the use of experimentally validated decoy ligands. Journal of Chemical Information and Modeling. 54: 2915-44. PMID 25250508 DOI: 10.1021/Ci500305C |
0.392 |
|
2014 |
Liu WQ, Megale V, Borriello L, Leforban B, Montès M, Goldwaser E, Gresh N, Piquemal JP, Hadj-Slimane R, Hermine O, Garbay C, Raynaud F, Lepelletier Y, Demange L. Synthesis and structure-activity relationship of non-peptidic antagonists of neuropilin-1 receptor. Bioorganic & Medicinal Chemistry Letters. 24: 4254-9. PMID 25091928 DOI: 10.1016/J.Bmcl.2014.07.028 |
0.544 |
|
2014 |
Borriello L, Montès M, Lepelletier Y, Leforban B, Liu WQ, Demange L, Delhomme B, Pavoni S, Jarray R, Boucher JL, Dufour S, Hermine O, Garbay C, Hadj-Slimane R, Raynaud F. Structure-based discovery of a small non-peptidic Neuropilins antagonist exerting in vitro and in vivo anti-tumor activity on breast cancer model. Cancer Letters. 349: 120-7. PMID 24752068 DOI: 10.1016/J.Canlet.2014.04.004 |
0.375 |
|
2014 |
Lagarde N, Ben Nasr N, Jérémie A, Guillemain H, Laville V, Labib T, Zagury JF, Montes M. NRLiSt BDB, the manually curated nuclear receptors ligands and structures benchmarking database. Journal of Medicinal Chemistry. 57: 3117-25. PMID 24666037 DOI: 10.1021/Jm500132P |
0.433 |
|
2013 |
Maréchal X, Genin E, Qin L, Sperandio O, Montes M, Basse N, Richy N, Miteva MA, Reboud-Ravaux M, Vidal J, Villoutreix BO. 1,2,4-Oxadiazoles identified by virtual screening and their non-covalent inhibition of the human 20S proteasome. Current Medicinal Chemistry. 20: 2351-62. PMID 23531222 DOI: 10.2174/0929867311320180006 |
0.592 |
|
2013 |
Ben Nasr N, Guillemain H, Lagarde N, Zagury JF, Montes M. Multiple structures for virtual ligand screening: defining binding site properties-based criteria to optimize the selection of the query. Journal of Chemical Information and Modeling. 53: 293-311. PMID 23312043 DOI: 10.1021/Ci3004557 |
0.392 |
|
2010 |
Giganti D, Guillemain H, Spadoni JL, Nilges M, Zagury JF, Montes M. Comparative evaluation of 3D virtual ligand screening methods: Impact of the molecular alignment on enrichment Journal of Chemical Information and Modeling. 50: 992-1004. PMID 20527883 DOI: 10.1021/Ci900507G |
0.451 |
|
2010 |
Basse N, Montes M, Maréchal X, Qin L, Bouvier-Durand M, Genin E, Vidal J, Villoutreix BO, Reboud-Ravaux M. Novel organic proteasome inhibitors identified by virtual and in vitro screening. Journal of Medicinal Chemistry. 53: 509-13. PMID 19919035 DOI: 10.1021/Jm9011092 |
0.603 |
|
2008 |
Montes M, Braud E, Miteva MA, Goddard ML, Mondésert O, Kolb S, Brun MP, Ducommun B, Garbay C, Villoutreix BO. Receptor-based virtual ligand screening for the identification of novel CDC25 phosphatase inhibitors. Journal of Chemical Information and Modeling. 48: 157-65. PMID 18154280 DOI: 10.1021/Ci700313E |
0.616 |
|
2007 |
Villoutreix BO, Renault N, Lagorce D, Sperandio O, Montes M, Miteva MA. Free resources to assist structure-based virtual ligand screening experiments. Current Protein & Peptide Science. 8: 381-411. PMID 17696871 DOI: 10.2174/138920307781369391 |
0.636 |
|
2007 |
Montes M, Miteva MA, Villoutreix BO. Structure-based virtual ligand screening with LigandFit: Pose prediction and enrichment of compound collections Proteins: Structure, Function and Genetics. 68: 712-725. PMID 17510958 DOI: 10.1002/Prot.21405 |
0.624 |
|
2006 |
Miteva MA, Violas S, Montes M, Gomez D, Tuffery P, Villoutreix BO. FAF-Drugs: free ADME/tox filtering of compound collections. Nucleic Acids Research. 34: W738-44. PMID 16845110 DOI: 10.1093/Nar/Gkl065 |
0.585 |
|
2005 |
Miteva MA, Lee WH, Montes MO, Villoutreix BO. Fast structure-based virtual ligand screening combining FRED, DOCK, and Surflex. Journal of Medicinal Chemistry. 48: 6012-22. PMID 16162004 DOI: 10.1021/jm050262h |
0.586 |
|
2005 |
Brun MP, Braud E, Angotti D, Mondésert O, Quaranta M, Montes M, Miteva M, Gresh N, Ducommun B, Garbay C. Design, synthesis, and biological evaluation of novel naphthoquinone derivatives with CDC25 phosphatase inhibitory activity. Bioorganic & Medicinal Chemistry. 13: 4871-9. PMID 15921913 DOI: 10.1016/J.Bmc.2005.05.005 |
0.326 |
|
Show low-probability matches. |