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45 та иш

Иш: Synthesis, structure, Hirshfeld surface analysis, molecular docking, and molecular dynamic studies of two carbendazim salts

  1. Crystal structure refinement with<i>SHELXL</i>

    George M. Sheldrick

    Мақола2014162 иқтибос
    ABI

  2. <i>SHELXT</i>– Integrated space-group and crystal-structure determination

    George M. Sheldrick

    Мақола2014119 иқтибос
    ABI

  3. The Cambridge Structural Database

    Colin R. Groom, Ian Bruno, Matthew P. Lightfoot +1

    Мақола201682 иқтибос
    ABI

  4. <i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

    Peter R. Spackman, Michael J. Turner, Joshua J. McKinnon +4

    Мақола202177 иқтибос
    ABI

  5. Molecular dynamics with coupling to an external bath

    Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren +2

    Мақола198434 иқтибос
    ABI

  6. <i>Mercury CSD 2.0</i>– new features for the visualization and investigation of crystal structures

    Clare F. Macrae, Ian Bruno, James A. Chisholm +7

    Мақола200832 иқтибос
    ABI

  7. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

    M Abraham, Teemu J. Murtola, Roland Schulz +4

    Мақола201530 иқтибос
    ABI

  8. Polymorphic transitions in single crystals: A new molecular dynamics method

    Michele Parrinello, A. Rahman

    Мақола198127 иқтибос
    ABI

  9. Canonical sampling through velocity rescaling

    Giovanni Bussi, Davide Donadio, Michele Parrinello

    Мақола200723 иқтибос
    ABI

  10. Graph-set analysis of hydrogen-bond patterns in organic crystals

    Margaret C. Etter, John C. MacDonald, Joel Bernstein

    Мақола199021 иқтибос
    ABI

  11. CB-Dock2: improved protein–ligand blind docking by integrating cavity detection, docking and homologous template fitting

    Yang Liu, Xiaocong Yang, Jianhong Gan +3

    Мақола202217 иқтибос
    ABI

  12. The Protein Data Bank

    Helen M. Berman

    Мақола200015 иқтибос
    ABI

  13. Synthesis of the Three Mixed-ligand Metal Complexes and One Organic Salt of 3,5-Dinitrobenzoic Acid for Biopharmaceutical Optimization Through Monoethanolamine: Structures and DFT Studies of Complexes

    Avazbek B. Ibragimov, Jamshid Ashurov, Aziz B. Ibragimov +1

    МақолаNonlinear Optical Materials ResearchJournal of Chemical Crystallography202013 иқтибос
    ABI

  14. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

    Garrett M. Morris, Ruth Huey, William Lindstrom +4

    Мақола200912 иқтибос
    ABI

  15. Synthesis, crystal structure and Hirshfeld surface analysis of hexaaquanickel(II) bis(4-hydroxybenzoate) dihydrate

    Abror Kh. Ruzmetov, Aziz B. Ibragimov, Jamshid Ashurov +3

    МақолаCrystal structures of chemical compoundsActa Crystallographica Section E Crystallographic Communications202210 иқтибос
    ABI

  16. Conformational dimorphism in<i>o</i>-nitrobenzoic acid: alternative ways to avoid the O...O clash

    Aziz B. Ibragimov, Jamshid Ashurov, Б. Т. Ибрагимов +3

    МақолаCrystallography and molecular interactionsActa Crystallographica Section C Structural Chemistry20169 иқтибос
    ABI

  17. Zinc-based solvents free coordination complexes: Synthesis, structures, photoluminous properties, DFT calculations and Hirshfeld surface analysis

    Hafsa Saleem, Muhammad Nadeem Akhtar, Rahman Bikas +5

    МақолаMetal-Organic Frameworks: Synthesis and ApplicationsJournal of Molecular Structure20236 иқтибос
    ABI

  18. Crystal structure of bis(triethanolamine-κ<sup>3</sup><i>N</i>,<i>O</i>,<i>O</i>′)nickel(II) bis(3-hydroxybenzoate) tetrahydrate

    Aziz B. Ibragimov

    МақолаMetal-Organic Frameworks: Synthesis and ApplicationsActa Crystallographica Section E Crystallographic Communications20166 иқтибос
    ABI

  19. Review on metal complexes with 4N-methyl (thiosemicarbazone)

    Abul Monsur Showkot Hossain, José M. Méndez‐Arriaga, Santiago Gómez‐Ruiz +6

    МақолаMetal complexes synthesis and propertiesPolyhedron20233 иқтибос
    ABI

  20. Improved side‐chain torsion potentials for the Amber ff99SB protein force field

    Kresten Lindorff‐Larsen, Stefano Piana, Kim Palmö +4

    Мақола20103 иқтибос
    ABI

  21. ACPYPE - AnteChamber PYthon Parser interfacE

    Alan Sousa da Silva, Wim Vranken

    Мақола20122 иқтибос
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  22. From Proteins to Perturbed Hamiltonians: A Suite of Tutorials for the GROMACS-2018 Molecular Simulation Package [Article v1.0]

    Justin A. Lemkul

    Мақола20182 иқтибос
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  23. The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

    Samuel Genheden, Ulf Ryde

    Шарҳ мақола20152 иқтибос
    ABI

  24. Design, Synthesis, Antifungal Activity, and Molecular Docking of Streptochlorin Derivatives Containing the Nitrile Group

    Jing‐Rui Liu, Ya Gao, Bing Jin +9

    Мақола20232 иқтибос
    ABI

  25. Evaluation of carbendazim for gene mutations in the Salmonella/Ames plate-incorporation assay: the role of aminophenazine impurities

    Awni M. Sarrif, Gail Theall Arce, David F. Krahn +2

    Мақола19942 иқтибос
    ABI