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Garlic as an effective antifungal inhibitor: A combination of reverse docking, molecular dynamics simulation, ADMET screening, DFT, and retrosynthesis studies 由 Soukaina Bouamrane, Ayoub Khaldan, Marwa Alaqarbeh, Abdelouahid Sbai, Mohammed Aziz Ajana, Mohammed Bouachrine, Tahar Lakhlifi, Hamid Maghat
出版 2024-03-01
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Computational integration for antifungal 1,2,4-triazole inhibitors design: QSAR, molecular docking, molecular dynamics simulations, ADME/Tox, and retrosynthesis studies 由 Soukaina Bouamrane, Ayoub Khaldan, Marwa Alaqarbeh, Abdelouahid Sbai, Mohammed Aziz Ajana, Tahar Lakhlifi, Mohammed Bouachrine, Hamid Maghat
出版 2024-06-01
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Design of new α-glucosidase inhibitors through a combination of 3D-QSAR, ADMET screening, molecular docking, molecular dynamics simulations and quantum studies 由 Ayoub Khaldan, Soukaina Bouamrane, Reda El-mernissi, Mohamed Ouabane, Marwa Alaqarbeh, Hamid Maghat, Mohammed Aziz Ajana, Chakib Sekkat, Mohammed Bouachrine, Tahar Lakhlifi, Abdelouahid Sbai
出版 2024-03-01
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