39 results on '"Hassan, Md. Imtaiyaz"'
Search Results
2. Identification of natural product-based effective inhibitors of spleen tyrosine kinase (SYK) through virtual screening and molecular dynamics simulation approaches.
3. Discovering potential inhibitors of Raf proto-oncogene serine/threonine kinase 1: a virtual screening approach towards anticancer drug development.
4. Integrated virtual screening and MD simulation study to discover potential inhibitors of Lyn-kinase: targeting cancer therapy.
5. Unravelling hub genes as potential therapeutic targets in lung cancer using integrated transcriptomic meta-analysis and in silico approach.
6. Pharmacological features, health benefits and clinical implications of honokiol.
7. Identifying Isoononin and Candidissiol as Rho-associated protein kinase 1 (ROCK1) inhibitors: a combined virtual screening and MD simulation approach.
8. A multi-spectroscopic and computational simulations study to delineate the interaction between antimalarial drug hydroxychloroquine and human serum albumin.
9. PEG mediated destabilization of holo α-lactalbumin probed by in silico and in vitro studies: deviation from excluded volume effect.
10. Identification of plant-based hexokinase 2 inhibitors: combined molecular docking and dynamics simulation studies.
11. Impact of non-synonymous mutations on the structure and function of telomeric repeat binding factor 1.
12. Investigation of sphingosine kinase 1 inhibitory potential of cinchonine and colcemid targeting anticancer therapy.
13. Insight into the binding of PEG-400 with eye protein alpha-crystallin: Multi spectroscopic and computational approach: possible therapeutics targeting eye diseases.
14. Heme-iron ligand (M80-Fe) in cytochrome c is destabilizing: combined in vitro and in silico approaches to monitor changes in structure, stability and dynamics of the protein on mutation.
15. Structure-based identification of potential SARS-CoV-2 main protease inhibitors.
16. Design and development of 5-(4H)-oxazolones as potential inhibitors of human carbonic anhydrase VA: towards therapeutic management of diabetes and obesity.
17. Unravelling the unfolding pathway of human Fas-activated serine/threonine kinase induced by urea.
18. Impact of glioblastoma multiforme associated mutations on the structure and function of MAP/microtubule affinity regulating kinase 4.
19. Targeting metacaspase-3 from Plasmodium falciparum towards antimalarial therapy: A combined approach of in-silico and in-vitro investigation.
20. Investigation of conformational dynamics of Tyr89Cys mutation in protection of telomeres 1 gene associated with familial melanoma.
21. Evaluation of pyrazolopyrimidine derivatives as microtubule affinity regulating kinase 4 inhibitors: Towards therapeutic management of Alzheimer's disease.
22. Identification and evaluation of glutathione conjugate gamma-l-glutamyl-l-cysteine for improved drug delivery to the brain.
23. Impact of Gln94Glu mutation on the structure and function of protection of telomere 1, a cause of cutaneous familial melanoma.
24. Spectroscopic, calorimetric and molecular docking insight into the interaction of Alzheimer's drug donepezil with human transferrin: implications of Alzheimer's drug.
25. Binding mechanism of caffeic acid and simvastatin to the integrin linked kinase for therapeutic implications: a comparative docking and MD simulation studies.
26. High throughput screening, docking, and molecular dynamics studies to identify potential inhibitors of human calcium/calmodulin-dependent protein kinase IV.
27. Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4).
28. Estimation of pH effect on the structure and stability of kinase domain of human integrin-linked kinase.
29. Comparative analysis of thermal unfolding simulations of RNA recognition motifs (RRMs) of TAR DNA-binding protein 43 (TDP-43).
30. Solvent sensitivity of protein aggregation in Cu, Zn superoxide dismutase: a molecular dynamics simulation study.
31. Structure prediction and functional analyses of a thermostable lipase obtained from Shewanella putrefaciens.
32. Effect of pH on the stability of hemochromatosis factor E: a combined spectroscopic and molecular dynamics simulation-based study.
33. Denatured states of yeast cytochrome c induced by heat and guanidinium chloride are structurally and thermodynamically different.
34. GdmCl-induced unfolding studies of human carbonic anhydrase IX: a combined spectroscopic and MD simulation approach.
35. Urea-induced denaturation of human calcium/calmodulin-dependent protein kinase IV: a combined spectroscopic and MD simulation studies.
36. Effect of pH on structure, function, and stability of mitochondrial carbonic anhydrase VA.
37. Molecular mechanism of Ras-related protein Rab-5A and effect of mutations in the catalytically active phosphate-binding loop.
38. Spectroscopic and MD simulation studies on unfolding processes of mitochondrial carbonic anhydrase VA induced by urea.
39. Structural characterization of MG and pre-MG states of proteins by MD simulations, NMR, and other techniques.
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