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Ушбу иш иқтибос қилган ишлар

45 та иш

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

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

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

    Мақола201530 иқтибос
    ABI

  2. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

    Antoine Daina, Olivier Michielin, Vincent Zoete

    Мақола201722 иқтибос
    ABI

  3. pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

    Douglas E. V. Pires, Tom L. Blundell, David B. Ascher

    Мақола20159 иқтибос
    ABI

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

    Elena Papaleo, Paolo Mereghetti, Piercarlo Fantucci +2

    Мақола20096 иқтибос
    ABI

  5. SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling

    Nicolas Guex, Manuel C. Peitsch

    Мақола19975 иқтибос
    ABI

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

    Zhenming Jin, Xiaoyu Du, Yechun Xu +28

    Мақола20205 иқтибос
    ABI

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

    Christopher A. Lipinski

    Мақола20044 иқтибос
    ABI

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

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

    Мақола20084 иқтибос
    ABI

  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

    Мақола20184 иқтибос
    ABI

  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

    Мақола20204 иқтибос
    ABI

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

    Taj Mohammad, Yash Mathur, Md. Imtaiyaz Hassan

    Мақола20204 иқтибос
    ABI

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

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

    Мақола20004 иқтибос
    ABI

  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

    Мақола20184 иқтибос
    ABI

  14. Principal Component Analysis for Protein Folding Dynamics

    Gia G. Maisuradze, Adam Liwo, Harold A. Scheraga

    Мақола20083 иқтибос
    ABI

  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

    Мақола20193 иқтибос
    ABI

  16. Using AutoDock for Ligand‐Receptor Docking

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

    Мақола20083 иқтибос
    ABI

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

    Christopher A. Lipinski

    Шарҳ мақола20003 иқтибос
    ABI

  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

    Mohd. Amir, Vijay Kumar, Taj Mohammad +8

    Мақола20183 иқтибос
    ABI

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

    Rashmi Dahiya, Taj Mohammad, Sonam Roy +8

    Мақола20193 иқтибос
    ABI

  20. ZINC 15 – Ligand Discovery for Everyone

    Teague Sterling, John J. Irwin

    Мақола20152 иқтибос
    ABI

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

    Antonija Kuzmanic, Bojan Žagrović

    Мақола20102 иқтибос
    ABI

  22. Essential dynamics of proteins

    Andrea Amadei, Antonius B. M. Linssen, Herman J. C. Berendsen

    Мақола19932 иқтибос
    ABI

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

    Jonathan B. Baell

    Шарҳ мақола20162 иқтибос
    ABI

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

    Shahid Ali, Faez Iqbal Khan, Taj Mohammad +3

    Мақола20192 иқтибос
    ABI

  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

    Мақола20202 иқтибос
    ABI