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34 ta ish

Ish: Molecular dynamics with coupling to an external bath

  1. Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma

    Maksudbek Yusupov, Debbie Dewaele, Pankaj Attri +3

    MaqolaPlasma Applications and DiagnosticsPlasma Processes and Polymers20228 iqtibos
    ABI

  2. Can endohedral transition metals enhance hydrogen storage in carbon nanotubes?

    Umedjon Khalilov, Utkir Uljayev, Kamoliddin Mehmonov +3

    MaqolaHydrogen Storage and MaterialsInternational Journal of Hydrogen Energy20234 iqtibos
    ABI

  3. Understanding the effect of morphological change on photocatalytic activity of ZnO nanostructures and reaction mechanism by molecular dynamics

    Amugul Esbergenova, Maksudbek Yusupov, Maryam Ghasemitarei +3

    MaqolaZnO doping and propertiesColloids and Surfaces A Physicochemical and Engineering Aspects20234 iqtibos
    ABI

  4. Does non-thermal plasma modify biopolymers in solution? A chemical and mechanistic study for alginate

    Francesco Tampieri, Albert Espona‐Noguera, Cédric Labay +4

    MaqolaPlasma Applications and DiagnosticsBiomaterials Science20234 iqtibos
    ABI

  5. The role of carbon monoxide in the catalytic synthesis of endohedral carbyne

    Kamoliddin Mehmonov, Aziza Ergasheva, Maksudbek Yusupov +1

    MaqolaFullerene Chemistry and ApplicationsJournal of Applied Physics20233 iqtibos
    ABI

  6. 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

  7. Nitrogen Adsorption on Double-Walled Carbon Nanotube at Different Temperatures: Mechanistic Insights from Molecular Dynamics Simulations

    Utkir B. Uljaev, Shakhnozaxon A. Muminova, I.D. Yadgarov

    MaqolaCarbon Nanotubes in CompositesEast European Journal of Physics20242 iqtibos
    ABI

  8. Water at Hydrophobic Substrates:  Curvature, Pressure, and Temperature Effects

    Shavkat Mamatkulov, P. K. Khabibullaev, Roland R. Netz

    MaqolaElectrostatics and Colloid InteractionsLangmuir20041 iqtibos
    ABI

  9. High-efficiency photoreduction of CO2 to solar fuel on alkali intercalated Ultra-thin g-C3N4 nanosheets and enhancement mechanism investigation

    Ruiming Fang, Zhongqing Yang, Zukhra C. Kadirova +4

    MaqolaAdvanced Photocatalysis TechniquesApplied Surface Science20221 iqtibos
    ABI

  10. Atomic level mechanisms of graphene healing by methane-based plasma radicals

    Umedjon Khalilov, Maksudbek Yusupov, G. Eshonqulov +2

    MaqolaGraphene research and applicationsFlatChem20231 iqtibos
    ABI

  11. Effect of endohedral nickel atoms on the hydrophilicity of carbon nanotubes

    Shakhrizoda Matnazarova, Umedjon Khalilov, Maksudbek Yusupov

    MaqolaCarbon Nanotubes in CompositesMolecular Simulation20231 iqtibos
    ABI

  12. Drug Repurposing with Topical Paclitaxel Delivery for Psoriasis Treatment Enabled by Plant-Inspired Molecular Assembly

    Han Liu, Wei Xia, Yujue Meng +6

    MaqolaPharmacological Effects of Natural CompoundsACS Applied Materials & Interfaces20251 iqtibos
    ABI

  13. Enhanced hydrogen retention in Ni-filled carbon nanotubes at high temperatures

    Utkir Uljayev, Farkhodjon Turaev, Abror Ulukmuradov +2

    MaqolaHydrogen Storage and MaterialsChemical Physics Letters20251 iqtibos
    ABI

  14. Disruption of conserved polar interactions causes a sequential release of Bim mutants from the canonical binding groove of Mcl1

    Parthiban Marimuthu, Jamoliddin Razzokov, G. Eshonqulov

    MaqolaCell death mechanisms and regulationInternational Journal of Biological Macromolecules20201 iqtibos
    ABI

  15. Computer Simulations to Study the Mechanisms of Cold Plasma-Induced Degradation of Amoxicillin

    Otamurot Rajabov, Quan‐Zhi Zhang, Nosir Matyakubov +3

    MaqolaAntibiotics Pharmacokinetics and EfficacyPlasma Chemistry and Plasma Processing20251 iqtibos
    ABI

  16. Modeling Plasma-Induced Modifications in Alginate Biopolymers at the Atomic Scale

    Maksudbek Yusupov, Francesco Tampieri, Shakhrizoda Matnazarova +3

    MaqolaPlasma Applications and DiagnosticsThe Journal of Physical Chemistry C20251 iqtibos
    ABI

  17. Driving catalytic carbyne formation within endohedral DWCNTs: the role of Ni <i>vs.</i> Pt

    Kamoliddin Mehmonov, Aziza Ergasheva, S. Mehdi Vaez Allaei +2

    MaqolaDiamond and Carbon-based Materials ResearchNanoscale20251 iqtibos
    ABI

  18. MD Simulations of the P53 oncoprotein structure: the effect of the Arg273→His mutation on the DNA binding domain

    Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka

    MaqolaCancer-related Molecular PathwaysAdvances in Bioscience and Biotechnology20110 iqtibos
    ABI

  19. Molecular dynamics simulations of a DNA photolyase protein: High-mobility and conformational changes of the FAD molecule at low temperatures

    Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka

    MaqolaLight effects on plantsAdvances in Bioscience and Biotechnology20120 iqtibos
    ABI

  20. MD studies on conformational behavior of a DNA photolyase enzyme

    Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka +1

    MaqolaLight effects on plantsPhysics of Particles and Nuclei Letters20130 iqtibos
    ABI

  21. Collision cascades interact with an edge dislocation in bcc Fe: a molecular dynamics study

    Hao Wang, Jiting Tian, Wei Zhou +3

    MaqolaFusion materials and technologiesRSC Advances20180 iqtibos
    ABI

  22. One-step synthesis of picolinohydrazides from fusaric acid: DFT, structural characterization and molecular inhibitory studies on metastatic tumor-derived exosomal and non-exosomal proteins

    Krishnan Anand, Muthusamy Ramesh, Thishana Singh +14

    MaqolaHeat shock proteins researchJournal of Molecular Structure20220 iqtibos
    ABI

  23. Reconstructing Reactivity in DynamicHost-Guest Systems at Atomistic Resolution:Amide Hydrolysis Under Confinement in theCavity of a Coordination Cage

    Massimo Delle Piane, Luca Pesce, Matteo Cioni +1

    PreprintSupramolecular Chemistry and ComplexesChemRxiv20220 iqtibos
    ABI

  24. THE INFLUENCE OF NITROGEN ATOMS ON CARBON NANOTUBES AT DIFFERENT TEMPERATURES

    Sh.A Muminova, I.D. Yadgarov, O‘.B. O‘ljayev

    MaqolaBoron and Carbon Nanomaterials Research20230 iqtibos
    ABI

  25. THE EFFECT OF OXYGEN IN THE CATALYTIC SYNTHESIS OF ENDOHEDRAL CARBYNE

    Kamoliddin Mehmonov

    MaqolaFullerene Chemistry and Applications20230 iqtibos
    ABI