Ushbu ish iqtibos qilgan ishlar

65 ta ish

Ish: 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

   Maqola200929 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.083068

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

   Antoine Daina, Olivier Michielin, Vincent Zoete

   Maqola201722 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.071133

3. GROMACS: Fast, flexible, and free

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

   Maqola200513 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.011935

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

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

   Maqola20159 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.096780

5. Hydrogen Bonds in Proteins: Role and Strength

   Roderick E. Hubbard, Muhammad Kamran Haider

   Boshqa20104 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.083046

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

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

   Maqola20084 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.083065

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

   Maqola20184 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.083072

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

   Maqola20204 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.083077

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

   Maqola20184 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.175261

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

    Sharh maqola20144 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206268

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

    Maqola20193 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.083074

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

    Maqola20183 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.175262

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

    Maqola20193 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.175264

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

    Antonija Kuzmanic, Bojan Žagrović

    Maqola20102 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.175245

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

    Maqola20192 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.175263

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

    Maqola20202 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.175270

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

    Ethan Cerami, Jianjiong Gao, Uğur Doğrusöz +12

    Maqola20122 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206272

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

    John J. Irwin, Brian K. Shoichet

    Maqola20042 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206275

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

    Maqola20172 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206286

20. Carbonic Anhydrases: Role in pH Control and Cancer

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

    Sharh maqola20182 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206289

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

    Maqola20202 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206296

22. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206253

23. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206254

24. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206255

25. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.206256