| Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace N Singh, L Chaput, BO Villoutreix Briefings in bioinformatics 22 (2), 1790-1818, 2021 | 114 | 2021 |
| Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance L Chaput, J Martinez-Sanz, N Saettel, L Mouawad Journal of cheminformatics 8, 1-17, 2016 | 100 | 2016 |
| Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds L Chaput, L Mouawad Journal of cheminformatics 9, 1-18, 2017 | 60 | 2017 |
| Topology‐Selective, Fluorescent “Light‐Up” Probes for G‐Quadruplex DNA Based on Photoinduced Electron Transfer X Xie, O Reznichenko, L Chaput, P Martin, MP Teulade‐Fichou, ... Chemistry–A European Journal 24 (48), 12638-12651, 2018 | 41 | 2018 |
| Identification of New Potent Acetylcholinesterase Inhibitors Using Virtual Screening and in vitro Approaches EH Mokrani, A Bensegueni, L Chaput, C Beauvineau, H Djeghim, ... Molecular Informatics 38 (5), 1800118, 2019 | 15 | 2019 |
| Fast rescoring protocols to improve the performance of structure-based virtual screening performed on protein–protein interfaces N Singh, L Chaput, BO Villoutreix Journal of chemical information and modeling 60 (8), 3910-3934, 2020 | 14 | 2020 |
| Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset E Elisée, V Gapsys, N Mele, L Chaput, E Selwa, BL de Groot, BI Iorga Journal of computer-aided molecular design 33 (12), 1031-1043, 2019 | 14 | 2019 |
| vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available L Chaput, J Martinez-Sanz, E Quiniou, P Rigolet, N Saettel, L Mouawad Journal of Cheminformatics 8, 1-18, 2016 | 14 | 2016 |
| Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations L Chaput, E Selwa, E Elisée, BI Iorga Journal of Computer-Aided Molecular Design 33, 93-103, 2019 | 10 | 2019 |
| High-throughput image-based aggresome quantification L Lesire, L Chaput, P Cruz De Casas, F Rousseau, C Piveteau, J Dumont, ... SLAS DISCOVERY: Advancing the Science of Drug Discovery 25 (7), 783-791, 2020 | 9 | 2020 |
| Enhancing the enantioselectivity of CALB by substrate imprinting: A combined experimental and molecular dynamics simulation model study L Chaput, Z Marton, P Pineau, L Domon, V Tran, M Graber Journal of Molecular Catalysis B: Enzymatic 84, 55-61, 2012 | 9 | 2012 |
| Contribution of both catalytic constant and Michaelis constant to CALB enantioselectivity: Use of FEP calculations for prediction studies L Chaput, YH Sanejouand, A Balloumi, V Tran, M Graber Journal of Molecular Catalysis B: Enzymatic 76, 29-36, 2012 | 7 | 2012 |
| FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases L Chaput, V Guillaume, N Singh, B Deprez, BO Villoutreix Bioinformatics 36 (14), 4225-4226, 2020 | 5 | 2020 |
| Lipase hydration state in the gas phase: Sorption isotherm measurements and inverse gas chromatography Z Marton, L Chaput, G Pierre, M Graber Biotechnology Journal 5 (11), 1216-1225, 2010 | 4 | 2010 |
| Integrated high-throughput screening and large-scale isobolographic analysis to accelerate the discovery of radiosensitizers with greater selectivity for cancer cells P Verrelle, P Gestraud, F Poyer, A Soria, S Tessier, A Lescure, E Anthony, ... International Journal of Radiation Oncology* Biology* Physics 118 (5), 1294-1307, 2024 | 2 | 2024 |
| Discovery, structure–activity relationships, and in vivo activity of dihydropyridone agonists of the bile acid receptor TGR5 S Picon, R Boulahjar, V Hoguet, M Baron, I Duplan, E Vallez, N Hennuyer, ... Journal of Medicinal Chemistry 66 (17), 11732-11760, 2023 | 2 | 2023 |
| The first laminin G-like domain of protein S is essential for binding and activation of Tyro3 receptor and intracellular signalling N Al Kafri, J Ahnström, A Teraz-Orosz, L Chaput, N Singh, BO Villoutreix, ... Biochemistry and biophysics reports 30, 101263, 2022 | 1 | 2022 |
| Modélisation tout-atome du complexe d'attaque membranaire L Chaput, H Debiec, P Ronco, B Iorga 21e Congrès du groupe de graphisme et modélisation moléculaire (GGMM), 2019 | | 2019 |
| Compréhension de l'énantiosélectivité de la lipase B de Candida antarctica: étude par modélisation moléculaire et expérimentation L Chaput Université de La Rochelle, 2012 | | 2012 |
| Electronic Supplementary Material Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset E Elisée, V Gapsys, N Mele, L Chaput, E Selwa, BL de Groot, BI Iorga | | |
Liliane MouawadResearcher in Molecular Simulation, Curie Institute在 curie.fr 的电子邮件经过验证
