A DFT Study of the Hydrogen Bonded Structures of Pyruvic Acid–Water Complexes by Ferid Hammami, Noureddine Issaoui

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DFT and molecular docking study of chloroquine derivatives as antiviral to coronavirus COVID-19 by Olfa Noureddine, Noureddine Issaoui, Omar Al-Dossary

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Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking by Abir Sagaama, Silvia Antonia Brandan, Takoua Ben Issa, Noureddine Issaoui

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Combined statistical physics models and DFT theory to study the adsorption process of paprika dye On TiO2 for dye sensitized solar cells by Marwa Ben Manaa, Noureddine Issaoui, Nadia Bouaziz, Abdelmottaleb Ben Lamine

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Molecular Structure, Spectral Analysis, Molecular Docking and Physicochemical Studies of 3-Bromo-2-hydroxypyridine Monomer and Dimer as Bromodomain Inhibitors by Nizar Lefi, Aleksandr S. Kazachenko, Murugesan Raja, Noureddine Issaoui, Anna S. Kazachenko

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Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative by Olfa Noureddine, Noureddine Issaoui, Sofian Gatfaoui, Omar Al-Dossary, Houda Marouani

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Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: Molecular docking and DFT calcula... by Olfa Noureddine, Noureddine Issaoui, Mouna Medimagh, Omar Al-Dossary, Houda Marouani

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Non covalent interactions and molecular docking studies on morphine compound by Abir Sagaama, Noureddine Issaoui, Omar Al-Dossary, Aleksandr S. Kazachenko, Marek.J. Wojcik

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Synthesis, GCMS, spectroscopic, electronic properties, chemical reactivity, RDG, topology and biological assessment of 1-(3,6,6-trimethyl-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1-yl... by E. Dhanalakshmi, P. Rajesh, K. Arunkumar, T. Gnanasambandan, Noureddine ISSAOUI, K. Sudha, M. Raja

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Molecular level interaction of solvents (water, benzene and DMSO) analysis of the 2-Bromo-6-nitrotoluene's reactive charge transfer, docking, and spectroscopic properties by P. Sangeetha, A. Prabakaran, Noureddine ISSAOUI, Omar M. Al-Dossary, Leda G. Bousiakoug

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3-Chloro-3-methyl-2,6-diarylpiperidin-4-ones as Anti-Cancer Agents: Synthesis, Biological Evaluation, Molecular Docking, and In Silico ADMET Prediction by Arulraj Ramalingam, Nurulhuda Mustafa, Wee Joo Chng, Mouna Medimagh, Sivakumar Sambandam, Noureddine Issaoui

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Self-assembly of a new cobalt complex, (C6H14N2)3[CoCl4]Cl: Synthesis, empirical and DFT calculations by Mariem Tahenti, Noureddine Issaoui, Thierry Roisnel, Houda Marouani, Omar Al-Dossary, Aleksandr S. Kazachenko

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Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of <i>Phlomis bruguieri</i> by Feride Akman, Azize Demirpolat, Aleksandr S. Kazachenko, Anna S. Kazachenko, Noureddine Issaoui, Omar Al-Dossary

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Exploring the non-covalent interactions, vibrational and electronic properties of 2-methyl-4-hydro-1,3,4-triazol-thione-5 in different solutions by Utkirjon Holikulov, Masrur Khodiev, Noureddine ISSAOUI, Abduvakhid Jumabaev, Naveen Kumar, Omar M. Al-Dossary

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Synthesis, characterization and identification of inhibitory activity on the main protease of COVID-19 by molecular docking strategy of (4-oxo-piperidinium ethylene acetal) trioxon... by Sofian Gatfaoui, Noureddine Issaoui, Aleksandr S. Kazachenko, Omar M. Al-Dossary, Thierry Roisnel, Houda Marouani

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Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method by Arulraj Ramalingam, Sivakumar Sambandam, Mouna Medimagh, Omar Al-Dossary, Noureddine Issaoui, Marek.J. Wojcik

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Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3,4-dihydroxyphenyl) ethanaminium nitrate by Mouna Medimagh, Noureddine Issaoui, Sofian Gatfaoui, Omar Al-Dossary, Aleksandr S. Kazachenko, Houda Marouani, Marek.J. Wojcik

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Synthesis, Empirical and Theoretical Investigations on New Histaminium Bis(Trioxonitrate) Compound by Mahdi Jmai, Sofian Gatfaoui, Noureddine Issaoui, Thierry Roisnel, Aleksandr S. Kazachenko, Omar Al-Dossary, Houda Marouani, Anna S. Kazachenko

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Catalytic multicomponent synthesis, biological evaluation, molecular docking and in silico ADMET studies of some novel 3-alkyl indoles by Rajalakshmi Ramarajan, Arulraj Ramalingam, Chinnaraja Duraisamy, Sivakumar Sambandam, Noureddine ISSAOUI, Omar M. Al-Dossary, Leda G. Bousiakoug

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Non covalent interactions analysis and spectroscopic characterization combined with molecular docking study of N′-(4-Methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide by Abir Sagaama, Noureddine Issaoui, Fehmi Bardak, Omar Al-Dossary, Aleksandr S. Kazachenko, Khalid Karrouchi, Ahmet Atac, Marek J. Wojcik

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