يعرض 1 - 20 نتائج من 52 نتيجة بحث عن '"Errougui, Abdelkbir"', وقت الاستعلام: 0.68s تنقيح النتائج
  1. 1
    Academic Journal
    Molecular dynamics modelling of the structural, dynamic, and dielectric properties of the LiF - ethylene carbonate energy storage system at various temperatures

    المؤلفون: Rabii Sanaa, Lahmidi Ayoub, Chtita Samir, El Kouali Mhammed, Talbi Mohammed, Errougui Abdelkbir

    المصدر: Journal of the Serbian Chemical Society, Vol 89, Iss 10, Pp 1311-1321 (2024)

    مصطلحات موضوعية: molecular dynamics, energy storage, solvation phenomenon, lithium fluoride, ethylene carbonate, lithium-ion batteries, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: https://doaj.org/toc/0352-5139; https://doaj.org/toc/1820-7421

    URL الوصول: https://doaj.org/article/c7a284ee31794eb7bdbbb4380ac485e8

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  2. 2
    Academic Journal
    Investigation of structural, dynamics, and dielectric properties of an aqueous potassium fluoride system at various concentrations by molecular dynamics simulations

    المؤلفون: Lahmidi Ayoub, Rabii Sanaa, Errougui Abdelkbir, Chtita Samir, El Kouali Mhammed, Talbi Mohammed

    المصدر: Journal of the Serbian Chemical Society, Vol 89, Iss 6, Pp 877-890 (2024)

    مصطلحات موضوعية: molecular dynamics, potassium fluoride, hydration phenomenon, self-diffusion coefficient, dielectric constant, energy storage system, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: https://doaj.org/toc/0352-5139; https://doaj.org/toc/1820-7421

    URL الوصول: https://doaj.org/article/90e1437312cf4924b880b8dd0c193b8b

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  3. 3
    Academic Journal
    The anticoagulant potential of Lippia Alba extract in inhibiting SARS-CoV-2 Mpro: Density functional calculation, molecular docking analysis, and molecular dynamics simulations

    المؤلفون: Yamari, Imane, Abchir, Oussama, Siddique, Farhan, Zaki, Hanane, Errougui, Abdelkbir, Talbi, Mohammed, Bouachrine, Mohammed, ElKouali, M'hammed, Chtita, Samir

    المصدر: Scientific African ; volume 23, page e01986 ; ISSN 2468-2276

    الاتاحة: http://dx.doi.org/10.1016/j.sciaf.2023.e01986
    https://api.elsevier.com/content/article/PII:S2468227623004404?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2468227623004404?httpAccept=text/plain

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  4. 4
    Academic Journal
    Molecular dynamics simulations and FTIR spectroscopy investigations on the hydration, transport, and dielectric properties of the NaF(aq) system at various concentrations

    المؤلفون: Lahmidi, Ayoub, Rabii, Sanaa, Chtita, Samir, Kouali, Mhammed El, Talbi, Mohammed, Errougui, Abdelkbir

    المصدر: Chemical Physics Impact ; volume 8, page 100400 ; ISSN 2667-0224

    الاتاحة: http://dx.doi.org/10.1016/j.chphi.2023.100400
    https://api.elsevier.com/content/article/PII:S2667022423002396?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2667022423002396?httpAccept=text/plain

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  5. 5
    Academic Journal
    Structure-based virtual screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates for the SARS-CoV-2 inhibitors.

    المؤلفون: Abchir, Oussama, Nour, Hassan, Daoui, Ossama, Yamari, Imane, ElKhattabi, Souad, El Kouali, Mhammed, Talbi, Mohammed, Errougui, Abdelkbir, Chtita, Samir

    المصدر: Natural Product Research; Dec2024, Vol. 38 Issue 24, p4347-4354, 8p

    مصطلحات موضوعية: MOLECULAR dynamics, MOLECULAR docking, SARS-CoV-2, PLANT diversity, VACCINE effectiveness


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  6. 6
    Academic Journal
    In Silico Design of Novel Piperazine-Based mTORC1 Inhibitors Through DFT, QSAR and ADME Investigations.

    المؤلفون: Karim, El Mehdi, Abchir, Oussama, Nour, Hassan, Daoui, Ossama, El Khattabi, Souad, Siddique, Farhan, El Kouali, M'Hammed, Talbi, Mohammed, Errougui, Abdelkbir, Chtita, Samir

    المصدر: Biophysica; Dec2024, Vol. 4 Issue 4, p517-529, 13p

    مصطلحات موضوعية: FRONTIER orbitals, QSAR models, STRUCTURE-activity relationships, RENAL cell carcinoma, DRUG target, BREAST


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  7. 7
    Academic Journal
    Structure‐Based Virtual Screening, ADMET analysis, and Molecular Dynamics Simulation of Moroccan Natural Compounds as Candidates α‐Amylase Inhibitors

    المؤلفون: Abchir, Oussama, Yamari, Imane, Nour, Hassan, Daoui, Ossama, Elkhattabi, Souad, Errougui, Abdelkbir, Chtita, Samir

    المصدر: ChemistrySelect ; volume 8, issue 26 ; ISSN 2365-6549 2365-6549

    الاتاحة: https://doi.org/10.1002/slct.202301092

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  8. 8
    Academic Journal
    Design of Acetylcholinesterase Inhibitors as Promising Anti‐Alzheimer's Agents Based on QSAR, Molecular Docking, and Molecular Dynamics Studies of Liquiritigenin Derivatives

    المؤلفون: Nour, Hassan, Hashmi, Md Amiruddin, Belaidi, Salah, Errougui, Abdelkbir, El Kouali, Mhammed, Talbi, Mohammed, Chtita, Samir

    المصدر: ChemistrySelect ; volume 8, issue 32 ; ISSN 2365-6549 2365-6549

    الاتاحة: https://doi.org/10.1002/slct.202301466

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  9. 9
    Academic Journal
    Design of a new potent Alzheimer's disease inhibitor based on QSAR, molecular docking and molecular dynamics investigations

    المؤلفون: Khedraoui, Meriem, Nour, Hassan, Yamari, Imane, Abchir, Oussama, Errougui, Abdelkbir, Chtita, Samir

    المصدر: Chemical Physics Impact ; volume 7, page 100361 ; ISSN 2667-0224

    الاتاحة: http://dx.doi.org/10.1016/j.chphi.2023.100361
    https://api.elsevier.com/content/article/PII:S2667022423002001?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2667022423002001?httpAccept=text/plain

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  10. 10
    Academic Journal
    Exploring Moroccan Medicinal Plants for Anticancer Therapy Development Through In Silico Studies.

    المؤلفون: Bouribab, Amal, Karim, El Mehdi, Khedraoui, Meriem, Abchir, Oussama, Errougui, Abdelkbir, Raouf, Yasir S., Samadi, Abdelouahid, Chtita, Samir

    المصدر: Pharmaceuticals (14248247); Nov2024, Vol. 17 Issue 11, p1528, 20p

    مصطلحات موضوعية: PROTEIN-tyrosine kinases, MOLECULAR dynamics, CANCER cells, MEDICAL screening, TUMOR growth, RESVERATROL

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  11. 11
    Academic Journal
    Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives.

    المؤلفون: Abchir, Oussama, Khedraoui, Meriem, Yamari, Imane, Nour, Hassan, Errougui, Abdelkbir, Samadi, Abdelouahid, Chtita, Samir

    المصدر: PLoS ONE; 9/6/2024, Vol. 19 Issue 9, p1-22, 22p

    مصطلحات موضوعية: COMPUTER-assisted drug design, MOLECULAR dynamics, TRIAZOLE derivatives, MOLECULAR docking, PHARMACOKINETICS

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  12. 12
    Academic Journal
    Unveiling Moroccan Nature's Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal Infections.

    المؤلفون: Yamari, Imane, Abchir, Oussama, Nour, Hassan, Khedraoui, Meriem, Rossafi, Bouchra, Errougui, Abdelkbir, Talbi, Mohammed, Samadi, Abdelouahid, Kouali, MHammed El, Chtita, Samir

    المصدر: Pharmaceuticals (14248247); Jul2024, Vol. 17 Issue 7, p886, 17p

    مصطلحات موضوعية: DENSITY functional theory, MOLECULAR dynamics, MOLECULAR docking, ASPERGILLUS fumigatus, IDENTIFICATION of fungi, CANDIDA albicans

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  13. 13
    Academic Journal
    An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE.

    المؤلفون: Khedraoui, Meriem, Abchir, Oussama, Nour, Hassan, Yamari, Imane, Errougui, Abdelkbir, Samadi, Abdelouahid, Chtita, Samir

    المصدر: Pharmaceuticals (14248247); Jul2024, Vol. 17 Issue 7, p830, 23p

    مصطلحات موضوعية: MOLECULAR docking, MOLECULAR dynamics, ALZHEIMER'S disease, DRUG design, DIPOLE moments, ACETYLCHOLINESTERASE

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  14. 14
    Academic Journal
    Targeting Fructosamine Oxidase (Amadoriase II) in Aspergillus fumigatus: Comprehensive Virtual Screening, ADMET Analysis, and Molecular Dynamics Simulation of Triazole Derivatives

    المؤلفون: Yamari, Imane, Abchir, Oussama, Khedraoui, Meriem, Errougui, Abdelkbir, Talbi, Mohammed, Samadi, Abdelouahid, Kouali, MHammed El, Chtita, Samir

    المصدر: Current Medicinal Chemistry ; volume 31 ; ISSN 0929-8673

    الاتاحة: http://dx.doi.org/10.2174/0109298673321782240829082610

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  15. 15
    Academic Journal
    Computational Studies of Cannabis Derivatives as Potential Inhibitors of SARS-CoV-2 Mpro

    المؤلفون: Mounadi, Nouh, Nour, Hassan, Daoui, Ossama, Elkhattabi, Souad, Errougui, Abdelkbir, Talbi, Mohammed, El Kouali, Mhammed, Chtita, Samir

    المصدر: Chemistry Africa ; ISSN 2522-5758 2522-5766

    الاتاحة: http://dx.doi.org/10.1007/s42250-024-00914-5
    https://link.springer.com/content/pdf/10.1007/s42250-024-00914-5.pdf
    https://link.springer.com/article/10.1007/s42250-024-00914-5/fulltext.html

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  16. 16
    Academic Journal
    CADD Methods for Developing Novel Compounds Synthesized to Inhibit Tyrosine Kinase Receptors

    المؤلفون: Bouribab, Amal, Errougui, Abdelkbir, Chtita, Samir

    المصدر: Current Topics in Medicinal Chemistry ; volume 24 ; ISSN 1568-0266

    الاتاحة: http://dx.doi.org/10.2174/0115680266312422240712053821

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  17. 17
    Academic Journal
    Evaluation of energy consumption during the seawater desalination process simulated to the aqueous ternary system {NaCl + KCl}(aq)

    المؤلفون: Errougui Abdelkbir, Benbiyi Asmaa, El Guendouzi Mohamed

    المصدر: E3S Web of Conferences, Vol 314, p 08001 (2021)

    مصطلحات موضوعية: theoretical energy consumption, desalination, ionic interaction model, osmotic coefficient, activity coefficient, sodium chloride, potassium chloride, Environmental sciences, GE1-350

    Relation: https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/90/e3sconf_wmad2021_08001.pdf; https://doaj.org/toc/2267-1242; https://doaj.org/article/3a7bf45784ba410cbc3674e2e52bdb22

    الاتاحة: https://doi.org/10.1051/e3sconf/202131408001
    https://doaj.org/article/3a7bf45784ba410cbc3674e2e52bdb22

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  18. 18
    Academic Journal
    Molecular dynamics simulation of lithium fluoride in aqueous solutions at different temperatures 300 K – 360 K

    المؤلفون: Errougui Abdelkbir, Benbiyi Asmaa

    المصدر: E3S Web of Conferences, Vol 229, p 01045 (2021)

    مصطلحات موضوعية: molecular dynamics, hydration number, self-diffusion coefficient, dielectric constant, lithium fluoride, energy, Environmental sciences, GE1-350

    Relation: https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/05/e3sconf_iccsre2021_01045.pdf; https://doaj.org/toc/2267-1242; https://doaj.org/article/4e4c4ff90a2749908c1cc161fa9e5e98

    الاتاحة: https://doi.org/10.1051/e3sconf/202122901045
    https://doaj.org/article/4e4c4ff90a2749908c1cc161fa9e5e98

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  19. 19
    Academic Journal
    Structural and dynamical properties simulations of potassium fluoride aqueous system at various temperatures from 298.15 K to 358.15 K

    المؤلفون: Errougui Abdelkbir, Talbi Mohammed, El Kouali M’hammed

    المصدر: E3S Web of Conferences, Vol 297, p 01009 (2021)

    مصطلحات موضوعية: molecular dynamics, self-diffusion coefficient, dielectric constant, potassium fluoride, potassium-ion batteries, Environmental sciences, GE1-350

    Relation: https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/73/e3sconf_iccsre21_01009.pdf; https://doaj.org/toc/2267-1242; https://doaj.org/article/04589558eab246df96fc63f06c74f381

    الاتاحة: https://doi.org/10.1051/e3sconf/202129701009
    https://doaj.org/article/04589558eab246df96fc63f06c74f381

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  20. 20
    Academic Journal
    Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations.

    المؤلفون: Abchir, Oussama, Khedraoui, Meriem, Nour, Hassan, Yamari, Imane, Errougui, Abdelkbir, Samadi, Abdelouahid, Chtita, Samir

    المصدر: Pharmaceuticals (14248247); Feb2024, Vol. 17 Issue 2, p261, 22p

    مصطلحات موضوعية: TRIAZOLE derivatives, MOLECULAR docking, THERMODYNAMICS, MOLECULAR dynamics, ALPHA-glucosidases, ORAL drug administration, GLUCOSIDASES

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