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34 works

Work: Analysis of Vibrational Properties of Dimethylaniline–Dimethyl Sulfoxide Mixtures Using IR Spectroscopy and Molecular Docking Study of Dimethylaniline

  1. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

    Oleg Trott, Arthur J. Olson

    Article200935 citations
    ABI

  2. The Protein Data Bank

    Helen M. Berman

    Article200018 citations
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  3. 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

    ArticleThermodynamic properties of mixturesJournal of Molecular Modeling202410 citations
    ABI

  4. Small-Molecule Library Screening by Docking with PyRx

    Sargis Dallakyan, Arthur J. Olson

    Article20145 citations
    ABI

  5. CH–π hydrogen bonds in biological macromolecules

    Motohiro Nishio, Yōji Umezawa, Jacques Fantini +2

    Article20145 citations
    ABI

  6. RAMAN SPECTRA AND ab-initio CALCULATION ANALYSIS OF INTERMOLECULAR INTERACTIONS IN ETHYLACETATE

    A Jumabaev

    Article20235 citations
    ABI

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

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

    ArticleCrystallography and molecular interactionsUkrainian Journal of Physics20244 citations
    ABI

  8. What Is the Covalency of Hydrogen Bonding?

    Sławomir J. Grabowski

    Review article20114 citations
    ABI

  9. Investigation of intermolecular interactions in butyl acetate using vibrational spectroscopy and non-empirical calculations

    А. Jumabaev, А. Absanov, Bekzod Khudaykulov +1

    ArticleThermodynamic properties of mixtures«Узбекский физический журнал»20243 citations
    ABI

  10. Molecular Docking: Shifting Paradigms in Drug Discovery

    Luca Pinzi, Giulio Rastelli

    Review article20193 citations
    ABI

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    Other2 citations
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  20. Study of diacetyl-water clusters using Raman scattering and theoretical calculations

    А. Jumabaev, H. Hushvaktov, A. Absanov +2

    ArticleMolecular Spectroscopy and Structure«Узбекский физический журнал»20221 citations
    ABI

  21. Raman Spectra and Quantum-Chemical Computational Analysis of Intermolecular Interactions in Ortho-Xylene and Its Solutions with Chloroform

    A. Jumabaev, H. A. Hushvaktov, A. A. Absanov +4

    ArticleThermodynamic properties of mixturesBulletin of the Lebedev Physics Institute20251 citations
    ABI

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    Other1 citations
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