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77 ta ish

Ish: VMD: Visual molecular dynamics

  1. Взаємодія валіну з молекулами води: дослідження методами DFT та раманівської спектроскопії

    А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2

    MaqolaSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics202219 iqtibos
    ABI

  2. Synthesis of the Three Mixed-ligand Metal Complexes and One Organic Salt of 3,5-Dinitrobenzoic Acid for Biopharmaceutical Optimization Through Monoethanolamine: Structures and DFT Studies of Complexes

    Avazbek B. Ibragimov, Jamshid Ashurov, Aziz B. Ibragimov +1

    MaqolaNonlinear Optical Materials ResearchJournal of Chemical Crystallography202013 iqtibos
    ABI

  3. Exploring the non-covalent interactions, vibrational and electronic properties of 2-methyl-4-hydro-1,3,4-triazol-thione-5 in different solutions

    Utkirjon Holikulov, Masrur Khodiev, Noureddine Issaoui +3

    MaqolaNonlinear Optical Materials ResearchJournal of King Saud University - Science202411 iqtibos
    ABI

  4. Theoretical and experimental approach on investigation of ethylurea-water clusters

    Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Utkirjon Holikulov +6

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 iqtibos
    ABI

  5. Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis

    А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2

    MaqolaNonlinear Optical Materials ResearchJournal of Molecular Liquids20238 iqtibos
    ABI

  6. Intermolecular interactions in water and ethanol solution of ethyl acetate: Raman, DFT, MEP, FMO, AIM, NCI-RDG, ELF, and LOL analyses

    А. Jumabaev, Stève–Jonathan Koyambo-Konzapa, H. Hushvaktov +7

    MaqolaThermodynamic properties of mixturesJournal of Molecular Modeling20248 iqtibos
    ABI

  7. Estimation of electrostatic and covalent contributions to the enthalpy of H-bond formation in H-complexes of 1,2,3-benzotriazole with proton-acceptor molecules by IR spectroscopy and DFT calculations

    Masrur Khodiev, Utkirjon Holikulov, Noureddine Issaoui +3

    MaqolaChemical Thermodynamics and Molecular StructureJournal of King Saud University - Science20228 iqtibos
    ABI

  8. Solvent effect on the self-association of the 1,2,4-triazole: A DFT study

    Masrur Khodiev, Utkirjon Holikulov, А. Jumabaev +4

    MaqolaNonlinear Optical Materials ResearchJournal of Molecular Liquids20237 iqtibos
    ABI

  9. Mechanistic Insight into Permeation of Plasma-Generated Species from Vacuum into Water Bulk

    Jamoliddin Razzokov, Sunnatullo Fazliev, Akbar Kodirov +3

    MaqolaPlasma Applications and DiagnosticsInternational Journal of Molecular Sciences20227 iqtibos
    ABI

  10. Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations

    А. Jumabaev, Bekzod Khudaykulov, Utkirjon Holikulov +6

    MaqolaNonlinear Optical Materials ResearchOptical Materials20256 iqtibos
    ABI

  11. The molecular structure, vibrational spectra, solvation effect, non-covalent interactions investigations of psilocin

    Utkirjon Holikulov, Аleksandr S. Kazachenko, Noureddine Issaoui +4

    MaqolaPsychedelics and Drug StudiesSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20246 iqtibos
    ABI

  12. Effect of Electric Field on α-Synuclein Fibrils: Revealed by Molecular Dynamics Simulations

    Jamoliddin Razzokov, Sunnatullo Fazliev, Mukhriddin Makhkamov +3

    MaqolaParkinson's Disease Mechanisms and TreatmentsInternational Journal of Molecular Sciences20235 iqtibos
    ABI

  13. Novel 2-benzoyl-3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazole: Synthesis, characterization and computational analysis

    К. Г. Авезов, Bako B. Umarov, Bakhtiyor Ganiev +4

    MaqolaSynthesis and Biological EvaluationJournal of Molecular Structure20255 iqtibos
    ABI

  14. Bias-force guided simulations combined with experimental validations towards GPR17 modulators identification

    Sana Kari, Akshaya Murugesan, Ramesh Thiyagarajan +5

    MaqolaReceptor Mechanisms and SignalingBiomedicine & Pharmacotherapy20233 iqtibos
    ABI

  15. Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

    Naveen Kosar, Tariq Mahmood, Abdulrahman Allangawi +2

    MaqolaMachine Learning in Materials ScienceInorganic Chemistry Communications20243 iqtibos
    ABI

  16. Structural, electronic and vibrational properties of L-asparagine

    U.A. Holikulov

    MaqolaDNA and Nucleic Acid Chemistry«Узбекский физический журнал»20233 iqtibos
    ABI

  17. Penetration of Chitosan into the Single Walled Armchair Carbon Nanotubes: Atomic Scale Insight

    Jamoliddin Razzokov, Parthiban Marimuthu, Kamoladdin Saidov +2

    MaqolaCarbon Nanotubes in CompositesCrystals20212 iqtibos
    ABI

  18. An orientational graphene/bamboo evaporator for efficient solar-powered steam generation and desalination

    Qian Feng, Jiarui Lu, Zhangmin Wan +5

    MaqolaSolar-Powered Water Purification MethodsChemical Engineering Journal20242 iqtibos
    ABI

  19. Vibrational Spectra and Computational Study of Amyl Acetate: MEP, AIM, RDG, NCI, ELF and LOL Analysis

    А. Jumabaev, H. Hushvaktov, А. Absanov +3

    MaqolaCrystallography and molecular interactionsUkrainian Journal of Physics20242 iqtibos
    ABI

  20. Understanding Osaka mutation polymorphic Aβ fibril response to static and oscillating electric fields: insights from computational modeling

    Mukhriddin Makhkamov, Artyom Y. Baev, Erkin Kurganov +1

    MaqolaAlzheimer's disease research and treatmentsScientific Reports20242 iqtibos
    ABI

  21. Raman and DFT study of non-covalent interactions in liquid benzophenone and its solutions

    Bekzod Khudaykulov, A. Norkulov, Utkirjon Holikulov +3

    MaqolaThermodynamic properties of mixturesLow Temperature Physics20252 iqtibos
    ABI

  22. Effect of Cysteine Oxidation in SARS-CoV-2 Receptor-Binding Domain on Its Interaction with Two Cell Receptors: Insights from Atomistic Simulations

    Maryam Ghasemitarei, Angela Privat‐Maldonado, Maksudbek Yusupov +3

    MaqolaSARS-CoV-2 and COVID-19 ResearchJournal of Chemical Information and Modeling20212 iqtibos
    ABI

  23. Distribution of lipid aldehydes in phase-separated membranes: A molecular dynamics study

    Maria C. Oliveira, Maksudbek Yusupov, Annemie Bogaerts +1

    MaqolaLipid Membrane Structure and BehaviorArchives of Biochemistry and Biophysics20222 iqtibos
    ABI

  24. Molecular Dynamics Study of Friction between Ag Nanoparticle and Two-Dimensional Titanium Carbide Ti2C (MXene)

    Vadym Borysiuk, I. A. Lyashenko, Valentin L. Popov

    MaqolaMXene and MAX Phase MaterialsCrystals20242 iqtibos
    ABI

  25. Low-temperature and high-rate Zn metal batteries enabled by mitigating Zn2+ concentration polarization

    Jiawei Wang, Qiaonan Zhu, Feng Li +6

    MaqolaAdvanced battery technologies researchChemical Engineering Journal20221 iqtibos
    ABI