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37 ta ish

Ish: Molecular docking and DFT study of rasagiline derivatives with MAO enzymes and their interaction with carbon nanostructure-based nanocarriers

  1. cclib: A library for package‐independent computational chemistry algorithms

    Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner

    Maqola200732 iqtibos
    ABI

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

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

    MaqolaOchiq kirish200918 iqtibos
    ABI

  3. Fluorinated carbon and boron nitride fullerenes for drug Delivery: Computational study of structure and adsorption

    Elizaveta Kalika, Konstantin P. Katin, A. I. Kochaev +3

    Maqola20226 iqtibos
    ABI

  4. Effects of B and N doping/codoping on the adsorption behavior of C60 fullerene towards aspirin: A DFT investigation

    Fateme Nattagh, Sharieh Hosseini, Mehdi D. Esrafili

    Maqola20216 iqtibos
    ABI

  5. Density functional theory (DFT) computation of pristine and metal-doped MC59 (M = Au, Hf, Hg, Ir) fullerenes as nitrosourea drug delivery systems

    Chioma G. Apebende, Goodness J. Ogunwale, Hitler Louis +4

    Maqola20235 iqtibos
    ABI

  6. Boron carbide nanoclusters as H2 and N2 gases nanosensors: theoretical investigation

    Fatemeh Fallahpour, Sara Soleimani Gorgani, Milad Nouraliei

    Maqola20162 iqtibos
    ABI

  7. On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

    Denis Jacquemin, Éric A. Perpète, Ilaria Ciofini +4

    Maqola20102 iqtibos
    ABI

  8. Geometry-controlled carbon nanostructures as effective drug delivery carriers for MAO enzyme inhibitors: A DFT study

    Milad Nouraliei, Mehrnoosh Karimkhani, S. Mansouri +1

    Maqola20212 iqtibos
    ABI

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