Design of new dipeptide inhibitors against SARS-CoV 3CLpro: 3D-QSAR, molecular docking, MD simulation, ADMET studies and retrosynthesis strategy by Soukaina, Esslali, Wissal, Liman, Yassine, Koubi, Achraf, El Allali, Guenoun, Farhate, Bouachrine, Mohammed

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Novel antiproliferative inhibitors from salicylamide derivatives with dipeptide moieties using 3D-QSAR, molecular docking, molecular dynamic simulation and ADMET studies by Soukaina, Esslali, Al-Zaqri, Nabil, Warad, Ismail, Ichou, Hamza, Yassine, Koubi, Guenoun, Farhate, Bouachrine, Mohammed

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A computational study of Di-substituted 1,2,3-triazole derivatives as potential drug candidates against Mycobacterium tuberculosis : 3D-QSAR, molecular docking, molecular dynamics,... by Koubi, Yassine, Moukhliss, Youness, Hajji, Halima, Alaqarbeh, Marwa, Ajana, Mohammed Aziz, Maghat, Hamid, Lakhlifi, Tahar, Bouachrine, Mohammed

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Design of novel isoxazole derivatives as tubulin inhibitors using computer-aided techniques: QSAR modeling, in silico ADMETox, molecular docking, molecular dynamics, biological eff... by Moukhliss, Youness, Koubi, Yassine, Zafar, Imran, Alaqarbeh, Marwa, Maghat, Hamid, Sbai, Abdelouahid, Lakhlifi, Tahar, Bouachrine, Mohammed

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A computational study of Di-substituted 1,2,3-triazole derivatives as potential drug candidates against : 3D-QSAR, molecular docking, molecular dynamics, and ADMETox by Koubi, Yassine, Moukhliss, Youness, Hajji, Halima, Alaqarbeh, Marwa, Ajana, Mohammed Aziz, Maghat, Hamid, Lakhlifi, Tahar, Bouachrine, Mohammed

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A study of drug candidates derived from pleconaril for inhibiting coxsackievirus B3 (Cvb3) by ADMET, molecular docking, molecular dynamics and retrosynthesis by Moukhliss, Youness, Koubi, Yassine, Alaqarbeh, Marwa, Alsakhen, Nada, Hamzeh, Samer, Maghat, Hamid, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar

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Computational investigation of imidazo[2,1-b]oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, and ADMETox... by Boutalaka, Meryem, El bahi, Salma, Alaqarbeh, Marwa, El Alaouy, Moulay Ahfid, Koubi, Yassine, Khatabi, Khalil El, Maghat, Hamid, Bouachrine, Mohammed, Lakhlifi, Tahar

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Computational Studies for Development of Triazole‐Pyrimidines as Inhibitor of α‐Tubulin Receptor by Abdessadak, Oumayma, Tabti, Kamal, Alaqarbeh, Marwa, Elmchichi, Larbi, Koubi, Yassine, Sbai, Abdelouahid, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Bouachrine, Mohammed

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Computational Investigation of Isoxazole‐Based Molecules as Potential Drug‐Resistant Anti‐Tuberculosis H37Rv by Moukhliss, Youness, Koubi, Yassine, Alaqarbeh, Marwa, Maghat, Hamid, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar

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Computational and Retrosynthetic Investigation of Isoxazole‐Bearing Chalcones as Antioxidant Activate Compounds by Moukhliss, Youness, Koubi, Yassine, Alaqarbeh, Marwa, Muzzammel Rehman, Hafiz, Maghat, Hamid, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar

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In-Silico Investigation of Osimertinib Based Compounds as Potential Double Mutant EGFR Kinase Inhibitors Against H1975 Cell Line: Integrating QSAR Modeling, Molecular Docking, MD S... by El Bahi, Salma, Boutalaka, Meryem, Alaqarbeh, Marwa, El Alaouy, Moulay Ahfid, Koubi, Yassine, El Khatabi, Khalil, Choukrad, M.’barek, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar

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