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Works cited by this work

45 works

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

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  6. Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

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  7. Lead- and drug-like compounds: the rule-of-five revolution

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  8. Construction of the free energy landscape of biomolecules via dihedral angle principal component analysis

    Alexandros Altis, Moritz Otten, Phuong H. Nguyen +2

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  9. Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships

    Ahmad Abu Turab Naqvi, Taj Mohammad, Gulam Mustafa Hasan +1

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  10. Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies

    Taj Mohammad, Shiza Siddiqui, Anas Shamsi +5

    Article20204 citations
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  11. InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening

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  12. PASS: prediction of activity spectra for biologically active substances

    Alexey A. Lagunin, Alla Stepanchikova, Dmitrii Filimonov +1

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  13. Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)

    Taj Mohammad, Faez Iqbal Khan, Kevin A. Lobb +3

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  14. Principal Component Analysis for Protein Folding Dynamics

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  15. Identification and evaluation of glutathione conjugate gamma-<scp>l</scp>-glutamyl-<scp>l</scp>-cysteine for improved drug delivery to the brain

    Saman Fatima, Taj Mohammad, Deeba Shamim Jairajpuri +6

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  16. Using AutoDock for Ligand‐Receptor Docking

    Garrett M. Morris, Ruth Huey, Arthur J. Olson

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  17. Drug-like properties and the causes of poor solubility and poor permeability

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  18. Investigation of deleterious effects of nsSNPs in the <i>POT1</i> gene: a structural genomics‐based approach to understand the mechanism of cancer development

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  19. Investigation of inhibitory potential of quercetin to the pyruvate dehydrogenase kinase 3: Towards implications in anticancer therapy

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  20. ZINC 15 – Ligand Discovery for Everyone

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  21. Determination of Ensemble-Average Pairwise Root Mean-Square Deviation from Experimental B-Factors

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  23. Feeling Nature’s PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS)

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  24. Identification and Evaluation of Inhibitors of Lipase from Malassezia restricta using Virtual High-Throughput Screening and Molecular Dynamics Studies

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  25. Identification of high-affinity inhibitors of SARS-CoV-2 main protease: Towards the development of effective COVID-19 therapy

    Taj Mohammad, Anas Shamsi, Saleha Anwar +6

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