| LIT-PCBA: an unbiased data set for machine learning and virtual screening VK Tran-Nguyen, C Jacquemard, D Rognan Journal of chemical information and modeling 60 (9), 4263-4273, 2020 | 116 | 2020 |
| Computational assay of Zanamivir binding affinity with original and mutant influenza neuraminidase 9 using molecular docking KM Thai, DP Le, VK Tran-Nguyen, TTH Nguyen, TD Tran, MT Le Journal of theoretical biology 385, 31-39, 2015 | 43 | 2015 |
| True accuracy of fast scoring functions to predict high-throughput screening data from docking poses: the simpler the better VK Tran-Nguyen, G Bret, D Rognan Journal of Chemical Information and Modeling 61 (6), 2788-2797, 2021 | 35 | 2021 |
| All in one: Cavity detection, druggability estimate, cavity-based pharmacophore perception, and virtual screening VK Tran-Nguyen, F Da Silva, G Bret, D Rognan Journal of chemical information and modeling 59 (1), 573-585, 2018 | 31 | 2018 |
| Synthesis and anticancer cytotoxicity of azaaurones overcoming multidrug resistance S Tóth, Á Szepesi, VK Tran-Nguyen, B Sarkadi, K Német, P Falson, ... Molecules 25 (3), 764, 2020 | 18 | 2020 |
| Modulators of the efflux pump Cdr1p of Candida albicans: mechanisms of action and chemical features VK Tran-Nguyen, R Prasad, P Falson, A Boumendjel Current Medicinal Chemistry 24 (30), 3242-3253, 2017 | 16 | 2017 |
| Prediction model of human ABCC2/MRP2 efflux pump inhibitors: a QSAR study MT Le, TV Phan, VK Tran-Nguyen, TD Tran, KM Thai Molecular diversity 25, 741-751, 2021 | 11 | 2021 |
| Prevalence and drug susceptibility of clinical Candida species in nasopharyngeal cancer patients in Vietnam BVG Nguyen, HHN Nguyen, TH Vo, MT Le, VK Tran-Nguyen, TT Vu, ... One Health 18, 100659, 2024 | 9 | 2024 |
| A practical guide to machine-learning scoring for structure-based virtual screening VK Tran-Nguyen, M Junaid, S Simeon, PJ Ballester Nature Protocols 18, 3460–3511, 2023 | 8 | 2023 |
| Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for Improvement VK Tran-Nguyen, D Rognan International Journal of Molecular Sciences 21 (12), 4380, 2020 | 8 | 2020 |
| Optimization of the chromone scaffold through QSAR and docking studies: Identification of potent inhibitors of ABCG2 E Roussel, VK Tran-Nguyen, K Bouhedjar, MA Dems, A Belaidi, ... European Journal of Medicinal Chemistry 184, 111772, 2019 | 8 | 2019 |
| Beware of simple methods for structure-based virtual screening: the critical importance of broader comparisons VK Tran-Nguyen, PJ Ballester Journal of Chemical Information and Modeling 63 (5), 1401-1405, 2023 | 7 | 2023 |
| Diversity-Oriented Synthesis: Amino Acetophenones as Building Blocks for the Synthesis of Natural Product Analogs M Eymery, VK Tran-Nguyen, A Boumendjel Pharmaceuticals 14 (11), 1127, 2021 | 7 | 2021 |
| Chalcone derivatives as potential inhibitors of P-glycoprotein and NorA: An in silico and in vitro study MT Le, DTT Trinh, TD Ngo, VK Tran-Nguyen, DN Nguyen, T Hoang, ... BioMed Research International 2022, 2022 | 6 | 2022 |
| Structure-based virtual screening for PDL1 dimerizers: Evaluating generic scoring functions VK Tran-Nguyen, S Simeon, M Junaid, PJ Ballester Current Research in Structural Biology 4, 206-210, 2022 | 6 | 2022 |
| Peramivir binding affinity with influenza A neuraminidase and research on its mutations using an induced-fit docking approach VK Tran-Nguyen, MT Le, TD Tran, VD Truong, KM Thai SAR and QSAR in Environmental Research 30 (12), 899-917, 2019 | 6 | 2019 |
| Make azoles active again: chalcones as potent reversal agents of transporters-mediated resistance in Candida albicans S Nim, P Baghel, VK Tran-Nguyen, B Peres, KA Nguyen, AD Pietro, ... Future Medicinal Chemistry 10 (18), 2177-2186, 2018 | 5 | 2018 |
| Local interaction density (LID), a fast and efficient tool to prioritize docking poses C Jacquemard, VK Tran-Nguyen, MN Drwal, D Rognan, E Kellenberger Molecules 24 (14), 2610, 2019 | 4 | 2019 |
| Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids MC Eymery, KA Nguyen, S Basu, J Hausmann, VK Tran-Nguyen, ... European Journal of Medicinal Chemistry 263, 115944, 2024 | 2 | 2024 |
| Inactive-enriched machine-learning models exploiting patent data improve structure-based virtual screening for PDL1 dimerizers P Gómez-Sacristán, S Simeon, VK Tran-Nguyen, S Patil, PJ Ballester Journal of Advanced Research, 2024 | 1 | 2024 |
Didier RognanCNRSVerified email at unistra.fr
