38 results on '"Sastry, G. Narahari"'
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2. Analyzing the aromatic-aromatic interactions in proteins: A2ID 2.0
3. Agarwood (Aquilaria malaccensis L.) a quality fragrant and medicinally significant plant based essential oil with pharmacological potentials and genotoxicity
4. Seroepidemiological and genomic investigation of SARS-CoV-2 spread in North East region of India
5. Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials
6. OSADHI – An online structural and analytics based database for herbs of India
7. Deciphering the importance of MD descriptors in designing Vitamin D Receptor agonists and antagonists using machine learning
8. North East India medicinal plants database (NEI-MPDB)
9. Bandgap engineering of ZnX (X = O, S, Se, Te) QDs/Graphene nanocomposites: Towards the designing of a highly efficient light-harvesting device
10. Protein-protein interaction of RdRp with its co-factor NSP8 and NSP7 to decipher the interface hotspot residues for drug targeting: A comparison between SARS-CoV-2 and SARS-CoV
11. Study of lipid heterogeneity on bilayer membranes using molecular dynamics simulations
12. Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing
13. Targeting progesterone metabolism in breast cancer with l -proline derived new 14-azasteroids
14. Design and synthesis of 3-(3-((9H-carbazol-4-yl)oxy)-2-hydroxypropyl)-2-phenylquinazolin-4(3H)-one derivatives to induce ACE inhibitory activity
15. Luotonin-A based quinazolinones cause apoptosis and senescence via HDAC inhibition and activation of tumor suppressor proteins in HeLa cells
16. 1:1 and 2:1 cocrystallizations of alkoxy-substituted naphthalene derivatives with octafluoronaphthalene through arene–perfluoroarene interactions
17. Pyrazole derivatives as potent inhibitors of c-Jun N-terminal kinase: Synthesis and SAR studies
18. Molecular dynamics investigation of the active site dynamics of mycobacterial cyclopropane synthase during various stages of the cyclopropanation process
19. The trans opening of ethylene diamine tetra acetic acid bis anhydride (EDTAA) with cystine-di-OMe: one-step synthesis of bihelical systems
20. Metal ion binding with carbon nanotubes and graphene: Effect of chirality and curvature
21. An antimony(V) substituted Keggin heteropolyacid, H4PSbMo11O40: Why is its catalytic activity in oxidation reactions so different from that of H4PVMo11O40?
22. Virtual screening filters for the design of type II p38 MAP kinase inhibitors: A fragment based library generation approach
23. Aromatic–Aromatic Interactions Database, A2ID: An analysis of aromatic π-networks in proteins
24. Synthesis of bis-1,2,3-triazolo-bridged unsymmetrical pyrrolobenzodiazepine trimers via ‘click’ chemistry and their DNA-binding studies
25. Synthesis, DNA-binding ability and anticancer activity of benzothiazole/benzoxazole–pyrrolo[2,1-c][1,4]benzodiazepine conjugates
26. Synthesis and theoretical studies on energetics of novel N- and O- perfluoroalkyl triazole tagged thienopyrimidines – Their potential as adenosine receptor ligands
27. The cooperativity of cation–π and π–π interactions
28. Total syntheses and absolute stereochemistry of decarestrictines C1 and C2
29. Potential choline kinase inhibitors: A molecular modeling study of bis-quinolinium compounds
30. Protein ligand interaction database (PLID)
31. Synthesis, structure analysis, and antibacterial activity of some novel 10-substituted 2-(4-piperidyl/phenyl)-5,5-dioxo[1,2,4]triazolo[1,5-b][1,2,4]benzothiadiazine derivatives
32. Molecular modeling studies of pyridopurinone derivatives—Potential phosphodiesterase 5 inhibitors
33. Homology modeling of membrane proteins: A critical assessment
34. DSTHO: Database of siRNAs targeted at human oncogenes: A statistical analysis
35. Peculiar basis set dependence of the energetics of C2S2H2 isomers. In search of adequate and affordable basis set for routine calculations
36. Proton binding sites and conformational analysis of H+K+-ATPase
37. Structural and active site analysis of plasmepsins of Plasmodium falciparum: Potential anti-malarial targets
38. Relative energies of C2O2H2 isomers and their ionized counterparts: possibility of bond stretch isomerism
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