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Работы, цитирующие эту работу

Работ: 77

Работа: VMD: Visual molecular dynamics

  1. Investigating the effect of volume fraction on Brownian displacement, thermophoresis, and thermal behavior of graphene/water nanofluid by molecular dynamics simulation

    Bingchen Lin, Ali B.M. Ali, Shahram Babadoust +5

    СтатьяNanofluid Flow and Heat TransferInternational Communications in Heat and Mass Transfer2025Цитирований: 0
    ABI

  2. Potential functional changes in native lysozyme induced by carbon nanotubes studied by molecular dynamics simulations

    S. Mehdi Vaez Allaei, Mehriar Amininasab, Hrachya Ishkhanyan +1

    СтатьяEnzyme Structure and FunctionScientific Reports2025Цитирований: 0
    ABI

  3. Intermolecular Dynamics of Aniline in Ethyl Acetate: A Raman Spectroscopy and DFT Approach

    А. Jumabaev, Bekzod Khudaykulov, H. Hushvaktov +5

    СтатьяThermodynamic properties of mixturesJournal of Physical Organic Chemistry2025Цитирований: 0
    ABI

  4. First-principle calculations for adsorption of toxic metal atoms on B4C5N3 nanosheets

    Bhishma Karki, Ali B.M. Ali, Egambergan Khudoynazarov +8

    СтатьяBoron and Carbon Nanomaterials ResearchMaterials Chemistry and Physics2025Цитирований: 0
    ABI

  5. Computational insights into the corrosion inhibition mechanism of hyoscyamine and zonisamide on mild steel: A combined DFT, MD, and NCI analysis

    Valentine Chikaodili Anadebe, Collince Omondi Awere, Abhinay Thakur +7

    СтатьяCorrosion Behavior and InhibitionJournal of Molecular Graphics and Modelling2025Цитирований: 0
    ABI

  6. Branched [4]Phenylene molecular unit for adsorption, removal, and selective sensing of toxic and volatile gases: Insights from DFT and TD-DFT analyses

    Bhishma Karki, Ali B.M. Ali, Egambergan Khudoynazarov +8

    СтатьяCovalent Organic Framework ApplicationsMaterials Chemistry and Physics2025Цитирований: 0
    ABI

  7. Non-covalent interactions in binary mixtures of sulfamic acid and methylurea

    Utkirjon Holikulov, Аleksandr S. Kazachenko, Noureddine Issaoui +2

    СтатьяThermodynamic properties of mixturesJournal of Molecular Liquids2025Цитирований: 0
    ABI

  8. Synthesis, X‐ray Structure Investigation, Hirshfeld Surface Analysis and Theoretical Calculations of Metal Complexes on the Base of 2‐Aminobenzoxazole

    Surayyo R. Razzaqova, Sabir Ali Siddique, Jamoliddin N. Todjiyev +12

    СтатьяMetal complexes synthesis and propertiesChemistrySelect2025Цитирований: 0
    ABI

  9. Formation of Hydrogen Bonding Network of Ethylurea-Ammonium Sulfamate Complexes

    Bekzod Khudaykulov, Utkirjon Holikulov, Аleksandr S. Kazachenko +3

    СтатьяChemical Thermodynamics and Molecular StructureJournal of Computational Biophysics and Chemistry2025Цитирований: 0
    ABI

  10. New FTIR and DFT Study of (CH3)2CO ··· HCl Hydrogen-Bonded Complex

    G. Nurmurodova, I. Doroshenko, G. Murоdоv +1

    СтатьяCrystallography and molecular interactionsUkrainian Journal of Physics2025Цитирований: 0
    ABI

  11. Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations

    Stève–Jonathan Koyambo-Konzapa, Berthelot Saïd Duvalier Ramlina Vamhindi, Bekzod Khudaykulov +5

    СтатьяFree Radicals and AntioxidantsPLoS ONE2025Цитирований: 0
    ABI

  12. Effects of Commensurability on Stick and Slip Conditions at Solid–Fluid Interface

    Vadym Borysiuk, M. A. Popov, Valentin L. Popov

    СтатьяForce Microscopy Techniques and ApplicationsLubricants2025Цитирований: 0
    ABI

  13. The effect of cysteine oxidation on conformational changes of SARS-CoV-2 spike protein using atomistic simulations

    Maryam Ghasemitarei, Hoda Taeb, Tayebeh Ghorbi +3

    СтатьяSARS-CoV-2 and COVID-19 ResearchScientific Reports2025Цитирований: 0
    ABI

  14. Hydroxyethyl Urea Crystal Hydrate: Experimental and Theoretical Study

    Utkirjon Holikulov, Аleksandr S. Kazachenko, Noureddine Issaoui +5

    СтатьяMethane Hydrates and Related PhenomenaJournal of Computational Biophysics and Chemistry2025Цитирований: 0
    ABI

  15. Permeation behavior of CO2, H2S, and CH in imidazolium-based ionic liquids: A molecular dynamics study

    Akbar Kodirov, Mohamed Kheireddine Aroua, Jamoliddin Razzokov

    СтатьяIonic liquids properties and applicationsComputational and Theoretical Chemistry2025Цитирований: 0
    ABI

  16. Molecular dynamics insights into the redox effects on PD-1/PD-L1 and PD-1/PD-L2 interactions

    Rasulbek Mashalov, Zulfizar Toshpulatova, Zhitong Chen +1

    СтатьяPlasma Applications and DiagnosticsScientific Reports2025Цитирований: 0
    ABI

  17. Intermolecular interactions in acetate esters: a Raman spectroscopy and theoretical analysis of the non-coincidence effect

    Shavkatjon Yormatov, Utkirjon Holikulov, А. Jumabaev +4

    СтатьяSpectroscopy and Quantum Chemical StudiesMonatshefte für Chemie - Chemical Monthly2025Цитирований: 0
    ABI

  18. rac-Diethyl-4-methyl-2-phenyl-6-(2-carbamothioylhydrazineylidene)cyclohex-4-en-1,3-dicarboxylate: Synthesis, characterization and computational studies

    Elizaveta V. Panova, Bakhtiyor Ganiev, N. G. Sevinchov +3

    СтатьяMetal complexes synthesis and propertiesJournal of Molecular Structure2025Цитирований: 0
    ABI

  19. Structurally Intelligent Recognition and Enrichment of Photo‐Responsive Dual‐Monomer Imprinted Polymers for β‐Sitosterol in <i>Camellia</i> Oil

    Yuling Chen, Yunong Tian, Jiahao Ouyang +4

    СтатьяCholesterol and Lipid MetabolismPolymer Engineering and Science2025Цитирований: 0
    ABI

  20. Enhancing Immune Cell Activation through Cold Atmospheric Plasma: Disruption of PD-1/PD-L1/PD-L2 Immune Checkpoints via Molecular Dynamics

    Mashalov Rasulbek, Zulfizar Toshpulatova, Zhitong Chen +1

    ПрепринтPlasma Applications and DiagnosticsbioRxiv (Cold Spring Harbor Laboratory)2025Цитирований: 0
    ABI

  21. DFT Insights into the Adsorption Mechanisms and Electronic Modulation of α-Phographene Toward Metal and Molecular Species: From Physisorption to Quasi Covalent Binding

    Qamar Abuhassan, Ahmed Kareem Obaid Aldulaimi, Omayma Salim Waleed +8

    СтатьяGraphene research and applicationsJournal of Inorganic and Organometallic Polymers and Materials2026Цитирований: 0
    ABI

  22. Synthesis, crystal structures, DFT calculations, and hirshfeld surface analysis of tris(quinolin-8-olato-κ²N,O)cobalt(III) acetic acid monosolvate and Bis(μ-quinolin-8-olato-κ²N,O)diaquabis(nitrato-κ²O,O′)dinickel(II) complexes

    Yusufjon Nazarov, Khayit Kh. Turaev, Sherzod A. Kasimov +6

    СтатьяMetal complexes synthesis and propertiesJournal of Molecular Structure2026Цитирований: 0
    ABI

  23. Discriminative adsorption and sensing of air pollutants for public health by graphdiyne: irreversible adsorption and selectivity toward NO2 revealed by DFT

    Bhishma Karki, Ali B.M. Ali, G. PadmaPriya +8

    СтатьяGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics2026Цитирований: 0
    ABI

  24. Selective gas sensing and electronic response of Al-decorated phographene (Al-d-PHOG) nanosheets: Insights from DFT and electron density analyses

    Bhishma Karki, Ahmed Aldulaimi, Omayma Salim Waleed +8

    СтатьяGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics2026Цитирований: 0
    ABI

  25. DFT, spectroscopic and MD insights into teneligliptin (TLG) adsorption on Cu3 and Cu(111): Implications for SERS sensing and drug-metal interfaces

    Jamelah S. Al-Otaib, Y. Sheena Mary, Mirjalol Ismoilov +2

    СтатьяGold and Silver Nanoparticles Synthesis and ApplicationsSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy2026Цитирований: 0
    ABI