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6 ta ish

Ish: Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

  1. Mechanistic Insight into Binding of Huperzine A with Human Serum Albumin: Computational and Spectroscopic Approaches

    Anas Shamsi, Moyad Shahwan, Mohd Shahnawaz Khan +5

    MaqolaProtein Interaction Studies and Fluorescence AnalysisMolecules20221 iqtibos
    ABI

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

    Javokhir Khursandov, Rasulbek Mashalov, Mukhriddin Makhkamov +3

    MaqolaParkinson's Disease Mechanisms and TreatmentsJournal of Structural Biology20241 iqtibos
    ABI

  3. Phytoconstituents and Medicinal Plants for Anticancer Drug Discovery: Computational Identification of Potent Inhibitors of PIM1 Kinase

    Farah Anjum, Taj Mohammad, Abdulraheem Ali Almalki +3

    MaqolaCancer Mechanisms and TherapyOMICS A Journal of Integrative Biology20210 iqtibos
    ABI

  4. Elucidating the Interactions of Fluoxetine with Human Transferrin Employing Spectroscopic, Calorimetric, and <i>In Silico</i> Approaches: Implications of a Potent Alzheimer’s Drug

    Mohd Shahnawaz Khan, Moyad Shahwan, Anas Shamsi +5

    MaqolaAnalytical Chemistry and ChromatographyACS Omega20220 iqtibos
    ABI

  5. Identification of <scp>mitogen‐activated</scp> protein kinase 7 inhibitors from natural products: Combined virtual screening and dynamic simulation studies

    Bandar Alharbi, Lina I. Alnajjar, Hassan H. Alhassan +7

    MaqolaMelanoma and MAPK PathwaysJournal of Molecular Recognition20230 iqtibos
    ABI

  6. Identification of Phytochemicals as Promising GSK-3β Inhibitors for Cancer Therapeutic Potential Through Virtual Screening, Molecular Docking, MD Simulation and MM-PBSA Calculation

    Mohamed J. Saadh, Wael Sheet Hussein, Karar H. Alfarttoosi +10

    MaqolaComputational Drug Discovery MethodsJournal of Computational Biophysics and Chemistry20250 iqtibos
    ABI