Intermolecular interactions and molecular docking investigations on 4-methoxybenzaldehyde
Ghalla, Houcine, Issaoui, Noureddine, Bardak, Fehmi, Atac, Ahmet
Published in Computational materials science (15.06.2018)
Published in Computational materials science (15.06.2018)
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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 calculations
Noureddine, Olfa, Issaoui, Noureddine, Medimagh, Mouna, Al-Dossary, Omar, Marouani, Houda
Published in Journal of King Saud University. Science (01.03.2021)
Published in Journal of King Saud University. Science (01.03.2021)
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Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking
Sagaama, Abir, Brandan, Silvia Antonia, Ben Issa, Takoua, Issaoui, Noureddine
Published in Heliyon (01.08.2020)
Published in Heliyon (01.08.2020)
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Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative
Noureddine, Olfa, Issaoui, Noureddine, Gatfaoui, Sofian, Al-Dossary, Omar, Marouani, Houda
Published in Journal of King Saud University. Science (01.03.2021)
Published in Journal of King Saud University. Science (01.03.2021)
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Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method
Ramalingam, Arulraj, Sambandam, Sivakumar, Medimagh, Mouna, Al-Dossary, Omar, Issaoui, Noureddine, Wojcik, Marek.J.
Published in Journal of King Saud University. Science (01.12.2021)
Published in Journal of King Saud University. Science (01.12.2021)
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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 Phlomis bruguieri
Akman, Feride, Demirpolat, Azize, Kazachenko, Aleksandr S, Kazachenko, Anna S, Issaoui, Noureddine, Al-Dossary, Omar
Published in Molecules (Basel, Switzerland) (16.03.2023)
Published in Molecules (Basel, Switzerland) (16.03.2023)
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Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis
Kazachenko, Aleksandr S., Issaoui, Noureddine, Sagaama, Abir, Malyar, Yuriy N., Al-Dossary, Omar, Bousiakou, Leda G., Kazachenko, Anna S., Miroshnokova, Angelina V., Xiang, Zhouyang
Published in Journal of King Saud University. Science (01.11.2022)
Published in Journal of King Saud University. Science (01.11.2022)
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Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3,4-dihydroxyphenyl) ethanaminium nitrate
Medimagh, Mouna, Issaoui, Noureddine, Gatfaoui, Sofian, Al-Dossary, Omar, S. Kazachenko, Aleksandr, Marouani, Houda, Wojcik, Marek.J.
Published in Journal of King Saud University. Science (01.12.2021)
Published in Journal of King Saud University. Science (01.12.2021)
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Assembly of two new hybrid chloride materials with potential NLO properties: Structure elucidation, empirical and computational studies
Jomaa, Ikram, Issaoui, Noureddine, Roisnel, Thierry, Marouani, Houda
Published in Journal of the Iranian Chemical Society (01.06.2022)
Published in Journal of the Iranian Chemical Society (01.06.2022)
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Journal Article
An original zero-dimensional material: 1, (2-aminoethyl) piperazinuim) tetrabromidomercurate (II) monohydrate, characterization and molecular docking
Harzallah, Mouna, Medimagh, Mouna, Issaoui, Noureddine, Kaminsky, Werner, Ayed, Brahim
Published in Structural chemistry (01.04.2024)
Published in Structural chemistry (01.04.2024)
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DFT Calculations of Some Important Radicals Used in the Nitroxide-Mediated Polymerization and Their HOMO‒LUMO, Natural Bond Orbital, and Molecular Electrostatic Potential Comparative Analysis
Feride Akman, Kazachenko, Aleksandr S., Issaoui, Noureddine
Published in Polymer science. Series B (01.10.2022)
Published in Polymer science. Series B (01.10.2022)
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Molecular Structure, Spectral Analysis, Molecular Docking and Physicochemical Studies of 3-Bromo-2-hydroxypyridine Monomer and Dimer as Bromodomain Inhibitors
Lefi, Nizar, Kazachenko, Aleksandr S, Raja, Murugesan, Issaoui, Noureddine, Kazachenko, Anna S
Published in Molecules (Basel, Switzerland) (15.03.2023)
Published in Molecules (Basel, Switzerland) (15.03.2023)
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