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Works citing this work

77 works

Work: VMD: Visual molecular dynamics

  1. An exploration of the binding prediction of anatoxin-a and atropine to acetylcholinesterase enzyme using multi-level computer simulations

    Showkat Ahmad Mir, Jamoliddin Razzokov, V. Mukherjee +2

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

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  3. Exploring α-synuclein stability under the external electrostatic field: Effect of repeat unit

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

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  5. Synthesis, Crystal structure, Hirshfeld surface, Thermal analysis and DFT Calculations of Zn(II) complex of mixed ligand from 2,4-dichlorophenoxy acid (2, 4-D) and ethylenediamine (en)

    Bekmurod Kh. Alimnazarov, Khayit Turaev, Suyunov Jabbor Ro'ziboyevich +9

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  6. Influence of dielectric environments on Raman non-coincidence effects in the C O stretching and NH2 bending modes of formamide

    А. Jumabaev, Utkirjon Holikulov, Shavkat Yormatov +1

    ArticleSilicon and Solar Cell TechnologiesVibrational Spectroscopy20251 citations
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  7. Raman non-coincidence effect of C ˭ O stretching modes of ethyl, butyl, and amyl acetate

    А. Jumabaev, I. Doroshenko, А. Absanov +2

    ArticleNonlinear Optical Materials ResearchLow Temperature Physics20251 citations
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  8. Synthesis and structural elucidation of a trifluoromethylated cyclopentene hydrazone: a combined X-ray and computational study

    Elizaveta V. Panova, Bakhtiyor Sh. Ganiev, Kuvondik G Avezov +3

    ArticlePhosphorus compounds and reactionsNew Journal of Chemistry20261 citations
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  9. 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

    ArticleCell death mechanisms and regulationInternational Journal of Biological Macromolecules20201 citations
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  10. MD Simulations of the P53 oncoprotein structure: the effect of the Arg273→His mutation on the DNA binding domain

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    ArticleCancer-related Molecular PathwaysAdvances in Bioscience and Biotechnology20110 citations
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  11. 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

    ArticleLight effects on plantsAdvances in Bioscience and Biotechnology20120 citations
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  12. MD studies on conformational behavior of a DNA photolyase enzyme

    Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka +1

    ArticleLight effects on plantsPhysics of Particles and Nuclei Letters20130 citations
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  13. Molecular Dynamics Simulations of the DNA-CNT Interaction Process: Hybrid Quantum Chemistry Potential and Classical Trajectory Approach

    Mirzoaziz Khusenov, Ermuhammad Dushanov, Kholmirzo Kholmurodov

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  14. A theoretical investigation of substituent effects on the stability and reactivity of N-heterocyclic olefin carboxylates

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    ArticleChemical Reaction MechanismsOrganic & Biomolecular Chemistry20150 citations
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  15. Problems of Visualization and 3d Modeling in Chemistry: Analysis of Electronodonor Properties and Spatial Complex-Forming Structure of the Obtained Sulfocationite

    С. М. Турабджанов, A. G. Eshimbetov, Abdusamat Nabiev +1

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

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    ArticleIonic liquids properties and applicationsJournal of Molecular Liquids20220 citations
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  17. Intermolecular Interactions in Liquid Propionic Acid and Its Solutions: Raman and DFT Study

    А. Jumabaev, А. Absanov, H.A. Hushvaktov +1

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  18. Integrating high-performance computing, machine learning, data management workflows, and infrastructures for multiscale simulations and nanomaterials technologies

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  19. GrapheNet: a deep learning framework for predicting the physical and electronic properties of nanographenes using images

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  20. Molecular Dynamics Study of Bending Deformation of Mo2Ti2C3 and Ti4C3 (MXenes) Nanoribbons

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

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  21. Development of pivalic acid conjugated Nafion modified glassy carbon electrode for sensitive detection of Cu(II) by electrochemical approach

    Tayyeba Noreen, Amna Siddique, Tahir Ali Sheikh +12

    ArticleElectrochemical Analysis and ApplicationsInorganica Chimica Acta20240 citations
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  22. Investigating the effect of external magnetic field on preventing deposition process in wax/asphaltene nanostructure using molecular dynamics simulation

    Jianguo Shao, Nawfel M.H. Al-Aragi, Dheyaa J. Jasim +5

    ArticlePetroleum Processing and AnalysisInternational Communications in Heat and Mass Transfer20240 citations
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  23. Types of noncovalent bonds within complexes of thiazole with CF<sub>4</sub> and SiF<sub>4</sub>

    Steve Scheiner, Akhtam Amonov

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  24. A high-energy-density aqueous dual-ion anode-free Zn battery under cryogenic conditions

    Yanmei Li, Qiaonan Zhu, Liwei Cheng +6

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  25. Molecular dynamics simulation of thermal behavior of paraffin/Cu nanoparticle PCM in a non-connected rotating ribbed tube

    Yaoyang Liu, Ali Basem, Younis Mohamed Atiah Al-zahy +5

    ArticlePhase Change Materials ResearchInternational Communications in Heat and Mass Transfer20250 citations
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