QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors by Chtita, Samir, Ghamali, Mounir, Ousaa, Abdellah, Aouidate, Adnane, Belhassan, Assia, Taourati, Abdelali Idrissi, Masand, Vijay Hariram, Bouachrine, Mohammed, Lakhlifi, Tahar

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New Small Compounds Based on Thienylenevinylene with D-A-D Structure for BHJ Applications: Theoretical Study by Alamy, Aziz El, Bourass, Mohamed, Amine, Amina, Kcimi, Rachid, Bouachrine, Mohammed

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Computational study of new pyranylidene-based D-π-A-A dyes: Effect of the change of the auxiliary acceptor by Bouzineb, Yassir, Fitri, Asmae, Touimi Benjelloun, Adil, Benzakour, Mohammed, Mcharfi, Mohammed, Bouachrine, Mohammed

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3D-QSAR and Molecular Docking Studies of p-Aminobenzoic Acid Derivatives to Explore the Features Requirements of Alzheimer Inhibitors by Khatabi, Khalil El, Aanouz, Ilham, mernissi, Reda El, Khaldan, Ayoub, Ajana, Mohammed Aziz, Bouachrine, Mohammed, Lakhlifi, Tahar

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DFT theoretical investigations of π-conjugated molecules based on thienopyrazine and different acceptor moieties for organic photovoltaic cells by Bourass, Mohammed, Touimi Benjelloun, Adil, Hamidi, Mohamed, Benzakour, Mohammed, Mcharfi, Mohammed, Sfaira, Mohcine, Serein-Spirau, Françoise, Lère-Porte, Jean-Pierre, Sotiropoulos, Jean-Marc, Bouzzine, Si Mohamed, Bouachrine, Mohammed

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Catastrophic Collision Between Obesity and COVID-19 Have Evoked the Computational Chemistry for Research in Silico Design of New CaMKKII Inhibitors Against Obesity by Using 3D-QSAR... by HAJJI, Halima, En-nahli, Fatima, Aanouz, Ilham, Zaki, Hanane, Lakhlifi, Tahar, Ajana, Mohammed Aziz, Bouachrine, Mohammed

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FMS-like tyrosine kinase 3 inhibitory potentials of some phytochemicals from anti-leukemic plants using computational chemical methodologies by Umar, Haruna Isiyaku, Ashimiyu-Abdusalam, Zainab, Alaqarbeh, Marwa, Magani, Wanche Ernest, Victor, Omoboyede, Omotosho-Sanni, Rukayat Yetunde, Bello, Ridwan Opeyemi, Jardan, Yousef A. Bin, Ibenmoussa, Samir, Bourhia, Mohammed, Wondmie, Gezahign Fentahun, Bouachrine, Mohammed

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Combined Conceptual-DFT, Quantitative MEP Analysis, and Molecular Docking Study of Benzodiazepine Analogs by Djebaili, Rachida, Melkemi, Nadjib, Kenouche, Samir, Daoud, Ismail, Bouachrine, Mohammed, Hazhazi, Halima, Salah, Toufik

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Photophysical properties of electroluminescent molecules based on thiophene and oxadiazole. Computational investigations by Agda, Fatima, Nebbach, Diae, Abram, Tayeb, Bouachrine, Mohammed, Taleb, Mustapha

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QSPR study of the retention/release property of odorant molecules in pectin gels using statistical methods by Belhassan, Assia, Chtita, Samir, Lakhlifi, Tahar, Bouachrine, Mohammed

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In Silico Exploration of Aryl Halides Analogues as CheckpointKinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study,and ADMET Screening by Ghaleb, Adib, Aouidate, Adnane, Bouachrine, Mohammed, Lakhlifi, Tahar, Sbai, Abdelouhid

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3D-QSAR, ADMET and Docking Studies for Design New 5,5-Diphenylimidazolidine-2,4-dione Derivatives Agents Against Cervical Cancer by Mernissi, Reda EL, Khatabi, Khalil EL, Khaldan, Ayoub, Bouamrane, Soukaina, ElMchichi, Larbi, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Bouachrine, Mohammed

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QSAR analysis of the toxicity of phenols and thiophenols using MLR and ANN by Ghamali, Mounir, Chtita, Samir, Ousaa, Abdellah, Elidrissi, Bouhya, Bouachrine, Mohammed, Lakhlifi, Tahar

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Biological activities of triazine derivatives. Combining DFT and QSAR results by Larif, Majdouline, Adad, Azeddine, Hmammouchi, Rachid, Taghki, Abdelhafid Idrissi, Soulaymani, Abdelmajid, Elmidaoui, Azzedine, Bouachrine, Mohammed, Lakhlifi, Tahar

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Catastrophic Collision Between Obesity and COVID-19 Have Evoked the Computational Chemistry for Research in Silico Design of New CaMKKII Inhibitors Against Obesity by Using 3D-QSAR... by Hajji, Halima, nahli, Fatima En, Aanouz, Ilham, Zaki, Hanane, Lakhlifi, Tahar, Ajana, Mohammed Aziz, Bouachrine, Mohammed

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QSPR Study of the Retention/release Property of Odorant Molecules in Water Using Statistical Methods by Belhassan, Assia, Chtita, Samir, Lakhlifi, Tahar, Bouachrine, Mohammed

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DFT Study of Electronic and Optical Properties of Small Oligothiophenes Based on Terthiophene End-capped by Several Donor Groups by Alamy, Aziz El, Amine, Amina, Bouachrine, Mohammed

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3D-QSAR models to predict anti-cancer activity on a series of protein P38 MAP kinase inhibitors by Hadaji, El Ghalia, Bourass, Mohamed, Ouammou, Abdelkarim, Bouachrine, Mohammed

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OPTOELECTRONIC PROPERTIES OF TRIPHENYLAMINE BASED DYES FOR SOLAR CELL APPLICATIONS. A DFT STUDY by Fahim, Zakaria Mohyi Eddine, Bouzzine, Si Mohamed, Hamidi, Mouay Mustapha, Bouachrine, Mohammed, Hamidi, Mohamed, Salgado-Morán, Guillermo, Mendoza-Huizar, Luis H., Alvarez-Romero, Giaan A.

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Optoelectronic properties of four azobenzene-based iminopyridine ligands for photovoltaic application by El alamy, Aziz, El-Ghayoury, Abdelkrim, Amine, Amina, Bouachrine, Mohammed

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