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27 ta ish

Ish: Polymorphic transitions in single crystals: A new molecular dynamics method

  1. 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

  2. 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

  3. Understanding the effect of nitrosylation on dynamics of human epidermal growth factor: a <i>µ</i>s simulation study

    Jamoliddin Razzokov, Sunnatullo Fazliev, Dinora Erkinova +2

    MaqolaHemoglobin structure and functionJournal of Physics D Applied Physics20224 iqtibos
    ABI

  4. 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

  5. Unraveling the permeation of reactive species across nitrated membranes by computer simulations

    Maria C. Oliveira, Maksudbek Yusupov, Rodrigo M. Cordeiro +1

    MaqolaNanoplatforms for cancer theranosticsComputers in Biology and Medicine20213 iqtibos
    ABI

  6. Features of self-organization of sodium dodecyl sulfate in water-ethanol solutions: Theory and vibrational spectroscopy

    И. В. Пластинин, Sergey Burikov, Shukur Gofurov +3

    MaqolaSurfactants and Colloidal SystemsJournal of Molecular Liquids20192 iqtibos
    ABI

  7. 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

  8. 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

  9. 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

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

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

    MaqolaElectrostatics and Colloid InteractionsLangmuir20041 iqtibos
    ABI

  11. Theoretical Investigation of Lead Perovskite PbXO<sub>3</sub> (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

    Zosiamliana Renthlei, L. Celestine, Lalrin Kima +7

    MaqolaPerovskite Materials and ApplicationsEnergy & Fuels20231 iqtibos
    ABI

  12. In silico study of the impact of oxidation on pyruvate transmission across the hVDAC1 protein channel

    Mahsa Rezaei, Maryam Ghasemitarei, Jamoliddin Razzokov +3

    MaqolaIon channel regulation and functionArchives of Biochemistry and Biophysics20231 iqtibos
    ABI

  13. The Absorption Mechanisms of CO2, H2S and CH4 Molecules in [EMIM][SCN] and [EMIM][DCA] Ionic Liquids: A Computational Insight

    Akbar Kodirov, Davronjon Abduvokhidov, Shavkat Mamatkulov +2

    MaqolaIonic liquids properties and applicationsFluid Phase Equilibria20241 iqtibos
    ABI

  14. Investigation of Structural Mechanisms Underlying p53 Dysfunction Caused by 148 Missense Mutations Using AlphaFold3 and Molecular Dynamics Simulations

    Khondamir R Rustamov, Jamoliddin Razzokov, Artyom Y. Baev

    MaqolaCancer-related Molecular PathwaysJournal of Chemical Information and Modeling20251 iqtibos
    ABI

  15. 3CLpro of SARS-CoV-2 as a new target for bufadienolides: in silico and in vitro study

    Muzaffar Kayumov, Jamoliddin Razzokov, Mukhriddin Makhkamov +10

    MaqolaDrug-Induced Hepatotoxicity and ProtectionJournal of Computer-Aided Molecular Design20251 iqtibos
    ABI

  16. Prediction of the structure of a silk-like protein in oligomeric states using explicit and implicit solvent models

    Jamoliddin Razzokov, Saber Naderi, Paul van der Schoot

    MaqolaProtein Structure and DynamicsSoft Matter20141 iqtibos
    ABI

  17. 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

  18. Effect of natural deep eutectic solvents of non-eutectic compositions on enzyme stability

    Attila Kovács, Maksudbek Yusupov, Iris Cornet +2

    MaqolaIonic liquids properties and applicationsJournal of Molecular Liquids20220 iqtibos
    ABI

  19. Into the Dynamics of Rotaxanes at Atomistic Resolution

    Luigi Leanza, Claudio Perego, Luca Pesce +3

    PreprintSupramolecular Chemistry and ComplexesChemRxiv20230 iqtibos
    ABI

  20. Into the Dynamics of Rotaxanes at Atomistic Resolution

    Luigi Leanza, Claudio Perego, Luca Pesce +3

    PreprintSupramolecular Chemistry and ComplexesChemRxiv20230 iqtibos
    ABI

  21. On the Automatic Optimization of Lipid Models in the Martini Force Field using SwarmCG

    Charly Empereur‐mot, Kasper B. Pedersen, Cristina Caruso +5

    PreprintLipid Membrane Structure and BehaviorChemRxiv20230 iqtibos
    ABI

  22. Pressure-sensitive germanate glass-Li <sub>2</sub> GeO <sub>3</sub> , a multifunctional energy material: a theoretical study

    R. Zosiamliana, L. Celestine, Lalhriat Zuala +6

    MaqolaFerroelectric and Piezoelectric MaterialsHigh Pressure Research20240 iqtibos
    ABI

  23. Crystal phase transformation controlling crack propagation and interaction between cracks: A molecular dynamics simulation in <i>α</i> -Fe

    Mohammad Nourbakhsh, Ali Pourkamali Anaraki, Javad Kadkhodapour +2

    MaqolaMicrostructure and mechanical propertiesJournal of Applied Physics20250 iqtibos
    ABI

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

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

    MaqolaEnzyme Structure and FunctionScientific Reports20250 iqtibos
    ABI

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

    Maryam Ghasemitarei, Hoda Taeb, Tayebeh Ghorbi +3

    MaqolaSARS-CoV-2 and COVID-19 ResearchScientific Reports20250 iqtibos
    ABI