Skip to main content
AkademIndex

Products

For developers

AkademBaseOpen API for the ecosystem
← Back to work

Works cited by this work

65 works

Work: Discovery of Natural Compounds as Potential Inhibitors of Human Carbonic Anhydrase II: An Integrated Virtual Screening, Docking, and Molecular Dynamics Simulation Study

  1. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

    Oleg Trott, Arthur J. Olson

    Article200929 citations
    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

    Article201722 citations
    ABI

  3. GROMACS: Fast, flexible, and free

    David van der Spoel, Erik Lindahl, Berk Hess +3

    Article200513 citations
    ABI

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

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

    Article20159 citations
    ABI

  5. Hydrogen Bonds in Proteins: Role and Strength

    Roderick E. Hubbard, Muhammad Kamran Haider

    Other20104 citations
    ABI

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

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

    Article20084 citations
    ABI

  7. 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

    Article20184 citations
    ABI

  8. 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
    ABI

  9. 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

    Article20184 citations
    ABI

  10. A Review of Methods Available to Estimate Solvent-Accessible Surface Areas of Soluble Proteins in the Folded and Unfolded States

    Syed Ausaf Ali, Md. Imtaiyaz Hassan, Asimul Islam +1

    Review article20144 citations
    ABI

  11. 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

    Article20193 citations
    ABI

  12. 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

    Article20183 citations
    ABI

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

    Rashmi Dahiya, Taj Mohammad, Sonam Roy +8

    Article20193 citations
    ABI

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

    Antonija Kuzmanic, Bojan Žagrović

    Article20102 citations
    ABI

  15. 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

    Article20192 citations
    ABI

  16. 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

    Article20202 citations
    ABI

  17. The cBio Cancer Genomics Portal: An Open Platform for Exploring Multidimensional Cancer Genomics Data

    Ethan Cerami, Jianjiong Gao, Uğur Doğrusöz +12

    Article20122 citations
    ABI

  18. ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

    John J. Irwin, Brian K. Shoichet

    Article20042 citations
    ABI

  19. Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression

    Farha Naz, Faez Iqbal Khan, Taj Mohammad +8

    Article20172 citations
    ABI

  20. Carbonic Anhydrases: Role in pH Control and Cancer

    Mam Y. Mboge, Brian P. Mahon, Robert McKenna +1

    Review article20182 citations
    ABI

  21. Synthesis and SAR studies of novel 1,2,4-oxadiazole-sulfonamide based compounds as potential anticancer agents for colorectal cancer therapy

    Farheen Shamsi, Phool Hasan, Aarfa Queen +11

    Article20202 citations
    ABI

  22. Untitled

    Other1 citations
    ABI

  23. Untitled

    Other1 citations
    ABI

  24. Untitled

    Other1 citations
    ABI

  25. Untitled

    Other1 citations
    ABI