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Structural and energetic investigation on the host/guest inclusion process of benzyl isothiocyanate into β-cyclodextrin using dispersion-corrected DFT calculations.
Carbohydr Res. 2020 May;491:107980. doi: 10.1016/j.carres.2020.107980. Epub 2020 Mar 18.
Carbohydr Res. 2020.
PMID: 32199172
Structural, electronic, and energetic investigations of acrolein adsorption on B36 borophene nanosheet: a dispersion-corrected DFT insight.
Allal H, Belhocine Y, Rahali S, Damous M, Ammouchi N.
Allal H, et al. Among authors: belhocine y.
J Mol Model. 2020 May 9;26(6):128. doi: 10.1007/s00894-020-04388-3.
J Mol Model. 2020.
PMID: 32388759
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DFT-D4 Insight into the Inclusion of Amphetamine and Methamphetamine in Cucurbit[7]uril: Energetic, Structural and Biosensing Properties.
Litim A, Belhocine Y, Benlecheb T, Ghoniem MG, Kabouche Z, Ali FAM, Abdulkhair BY, Seydou M, Rahali S.
Litim A, et al. Among authors: belhocine y.
Molecules. 2021 Dec 10;26(24):7479. doi: 10.3390/molecules26247479.
Molecules. 2021.
PMID: 34946564
Free PMC article.
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A Dispersion Corrected DFT Investigation of the Inclusion Complexation of Dexamethasone with β-Cyclodextrin and Molecular Docking Study of Its Potential Activity against COVID-19.
Belhocine Y, Rahali S, Allal H, Assaba IM, Ghoniem MG, Ali FAM.
Belhocine Y, et al.
Molecules. 2021 Dec 15;26(24):7622. doi: 10.3390/molecules26247622.
Molecules. 2021.
PMID: 34946702
Free PMC article.
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In Search of Preferential Macrocyclic Hosts for Sulfur Mustard Sensing and Recognition: A Computational Investigation through the New Composite Method r2SCAN-3c of the Key Factors Influencing the Host-Guest Interactions.
Messiad FA, Ammouchi N, Belhocine Y, Alhussain H, Ghoniem MG, Said RB, Ali FAM, Rahali S.
Messiad FA, et al. Among authors: belhocine y.
Nanomaterials (Basel). 2022 Jul 22;12(15):2517. doi: 10.3390/nano12152517.
Nanomaterials (Basel). 2022.
PMID: 35893486
Free PMC article.
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Removal of Malachite Green Dye from Aqueous Solution by Catalytic Wet Oxidation Technique Using Ni/Kaolin as Catalyst.
Moumen A, Belhocine Y, Sbei N, Rahali S, Ali FAM, Mechati F, Hamdaoui F, Seydou M.
Moumen A, et al. Among authors: belhocine y.
Molecules. 2022 Nov 3;27(21):7528. doi: 10.3390/molecules27217528.
Molecules. 2022.
PMID: 36364350
Free PMC article.
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Zwitterionic 1-{(E)-[(2-methyl-phen-yl)iminium-yl]meth-yl}naphthalen-2-olate.
Khelifa Baghdouche A, Mosbah S, Belhocine Y, Bencharif L.
Khelifa Baghdouche A, et al. Among authors: belhocine y.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 17;70(Pt 6):o676. doi: 10.1107/S1600536814008794. eCollection 2014 Jun 1.
Acta Crystallogr Sect E Struct Rep Online. 2014.
PMID: 24940256
Free PMC article.
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