| (+)-and (−)-2-Aminocyclobutane-1-carboxylic acids and their incorporation into highly rigid β-peptides: Stereoselective synthesis and a structural study S Izquierdo, F Rúa, A Sbai, T Parella, Á Álvarez-Larena, V Branchadell, ... The Journal of Organic Chemistry 70 (20), 7963-7971, 2005 | 68 | 2005 |
| Density functional study of complexes between Lewis acids and bases V Branchadell, A Sbai, A Oliva The Journal of Physical Chemistry 99 (17), 6472-6476, 1995 | 60 | 1995 |
| Effect of Lewis Acid Catalysis on the Diels−Alder Reaction between Methyl (Z)-(S)-4,5-(2,2-Propylidenedioxy)pent-2-enoate and Cyclopentadiene. A Theoretical … A Sbai, V Branchadell, RM Ortuño, A Oliva The Journal of Organic Chemistry 62 (10), 3049-3054, 1997 | 58 | 1997 |
| Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation A Aouidate, A Ghaleb, S Chtita, M Aarjane, A Ousaa, H Maghat, A Sbai, ... Journal of Biomolecular Structure and Dynamics 39 (12), 4522-4535, 2021 | 52 | 2021 |
| In silico design of novel PIN1 inhibitors by combined of 3D-QSAR, molecular docking, molecular dynamic simulation and ADMET studies K Tabti, L Elmchichi, A Sbai, H Maghat, M Bouachrine, T Lakhlifi, A Ghosh Journal of Molecular Structure 1253, 132291, 2022 | 39 | 2022 |
| 3D-QSAR modeling and molecular docking studies on a series of 2, 5 disubstituted 1, 3, 4-oxadiazoles A Ghaleb, A Aouidate, M Ghamali, A Sbai, M Bouachrine, T Lakhlifi Journal of Molecular Structure 1145, 278-284, 2017 | 33 | 2017 |
| Furanone derivatives as new inhibitors of CDC7 kinase: development of structure activity relationship model using 3D QSAR, molecular docking, and in silico ADMET A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Ousaa, M Choukrad, A Sbai, ... Structural Chemistry 29, 1031-1043, 2018 | 30 | 2018 |
| Combined 3D-QSAR and molecular docking study on 7, 8-dialkyl-1, 3-diaminopyrrolo-[3, 2-f] Quinazoline series compounds to understand the binding mechanism of DHFR inhibitors A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Sbai, M Bouachrine, ... Journal of Molecular Structure 1139, 319-327, 2017 | 29 | 2017 |
| Ab Initio Study of Endo/Exo and Diastereofacial Selectivities in Diels−Alder Reactions between Chiral Butenolides and Cyclopentadiene A Sbai, Vicenç, A Oliva The Journal of Organic Chemistry 61 (2), 621-626, 1996 | 26 | 1996 |
| Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties A Khaldan, S Bouamrane, F En-Nahli, R El-Mernissi, R Hmamouchi, ... Heliyon 7 (3), 2021 | 23 | 2021 |
| 3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase A Aouidate, A Ghaleb, M Ghamali, A Ousaa, A Sbai, M Bouachrine, ... Computational Biology and Chemistry 74, 201-211, 2018 | 23 | 2018 |
| Profiling the structural determinants of pyrrolidine derivative as gelatinases (MMP-2 and MMP-9) inhibitors using in silico approaches K Tabti, I Ahmad, I Zafar, A Sbai, H Maghat, M Bouachrine, T Lakhlifi Computational Biology and Chemistry 104, 107855, 2023 | 20 | 2023 |
| Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, ADME/toxicity, molecular docking, molecular dynamics simulations, and … K Tabti, S Baammi, L ElMchichi, A Sbai, H Maghat, M Bouachrine, ... Structural Chemistry 33 (4), 1019-1039, 2022 | 20 | 2022 |
| 3D-QSAR modeling, molecular docking and ADMET properties of benzothiazole derivatives as α-glucosidase inhibitors A Khaldan, S Bouamrane, R El-mernissi, H Maghat, MA Ajana, A Sbai, ... Materials Today: Proceedings 45, 7643-7652, 2021 | 19 | 2021 |
| New organic dye-sensitized solar cells based on the D–A–π–A structure for efficient DSSCs: DFT/TD-DFT investigations A Azaid, M Raftani, M Alaqarbeh, R Kacimi, T Abram, Y Khaddam, ... RSC advances 12 (47), 30626-30638, 2022 | 18 | 2022 |
| Molecular modelling of antiproliferative inhibitors based on SMILES descriptors using Monte-Carlo method, docking, MD simulations and ADME/Tox studies K Tabti, L Elmchichi, A Sbai, H Maghat, M Bouachrine, T Lakhlifi Molecular Simulation 48 (17), 1575-1591, 2022 | 15 | 2022 |
| Organic materials based with D–π–A structure based on thiophene and anthracene for application in dye-sensitized solar cells A Azaid, T Abram, R Kacimi, A Sbai, M Bouachrine Materials Today: Proceedings 45, 7363-7369, 2021 | 15 | 2021 |
| In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET … S Bouamrane, A Khaldan, H Hajji, R El-Mernissi, M Alaqarbeh, ... Molecular Diversity 27 (5), 2111-2132, 2023 | 14 | 2023 |
| Investigation of indirubin derivatives: a combination of 3D-QSAR, molecular docking, and ADMET towards the design of new DRAK2 inhibitors A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Ousaa, M Choukrad, A Sbai, ... Structural Chemistry 29, 1609-1622, 2018 | 14 | 2018 |
| Design and development of novel spiro-oxindoles as potent antiproliferative agents using quantitative structure activity based Monte Carlo method, docking molecular, molecular … K Tabti, O Abdessadak, A Sbai, H Maghat, M Bouachrine, T Lakhlifi Journal of Molecular Structure 1284, 135404, 2023 | 13 | 2023 |
