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Computational assessment of the reactivity and pharmaceutical potential of novel triazole derivatives: An approach combining DFT calculations, molecular dynamics simulations, and m... by Kamal Tabti, Abdelouahid Sbai, Hamid Maghat, Tahar Lakhlifi, Mohammed Bouachrine
Published 2024-01-01
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In-silico exploration and structure-based design of Praziquantel derivatives as potential inhibitors of schistosoma mansoni Glutathione S-transferase (SmGST) by Saudatu Chinade Jáafaru, Adamu Uzairu, Muhammed Sani Sallau, George Iloegbulam Ndukwe, Muhammad Tukur Ibrahim, Kamal Tabti, Pallavi Kandpal, Vimal Kumar
Published 2024-06-01
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Structure-odor relationship in pyrazines and derivatives: A physicochemical study using 3D-QSPR, HQSPR, Monte Carlo, molecular docking, ADME-Tox and molecular dynamics by Mohamed OUABANE, Kamal TABTI, Halima HAJJI, Mhamed ELBOUHI, Ayoub KHALDAN, Khalid ELKAMEL, Abdelouahid SBAI, Mohammed Aziz AJANA, Chakib SEKKATE, Mohammed BOUACHRINE, Tahar LAKHLIFI
Published 2023-11-01
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