713 results on '"Sastry, G. Narahari"'
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2. 2D-Double transition metal MXenes for spintronics applications: surface functionalization induced ferromagnetic half-metallic complexes
3. Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space
4. Green synthesis of nanocellulose supported cu-bionanocomposites and their profound applicability in the synthesis of amide derivatives and controlling of food-borne pathogens
5. Analyzing the aromatic-aromatic interactions in proteins: A2ID 2.0
6. In silico investigation on the mutational analysis of BRCA1-BARD1 RING domains and its effect on nucleosome recognition and ubiquitination
7. Agarwood (Aquilaria malaccensis L.) a quality fragrant and medicinally significant plant based essential oil with pharmacological potentials and genotoxicity
8. Machine learning based dynamic consensus model for predicting blood-brain barrier permeability
9. OSADHI – An online structural and analytics based database for herbs of India
10. Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials
11. Deciphering the importance of MD descriptors in designing Vitamin D Receptor agonists and antagonists using machine learning
12. Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite
13. Drug repositioning for anti-tuberculosis drugs: an in silico polypharmacology approach
14. North East India medicinal plants database (NEI-MPDB)
15. Bandgap engineering of ZnX (X = O, S, Se, Te) QDs/Graphene nanocomposites: Towards the designing of a highly efficient light-harvesting device
16. A machine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys
17. 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
18. Glycoprotein attachment with host cell surface receptor ephrin B2 and B3 in mediating entry of nipah and hendra virus: a computational investigation
19. Global seismology and tectonics
20. Reversible and irreversible functionalization of graphene
21. Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal
22. CRISPR/Cas9-based genome editing and functional analysis of SlHyPRP1 and SlDEA1 genes of Solanum lycopersicum L. in imparting genetic tolerance to multiple stress factors
23. Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing
24. Study of lipid heterogeneity on bilayer membranes using molecular dynamics simulations
25. ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT
26. Applying polypharmacology approach for drug repurposing for SARS-CoV2
27. Analyzing the cation‐aromatic interactions in proteins: Cation‐aromatic database V2.0
28. A perspective on the nature of cation-π interactions
29. Analyzing the cation‐aromatic interactions in proteins: Cation‐aromatic database V2.0.
30. Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): An open access disease specific drug discovery portal
31. Molecular Property Diagnostic Suite Compound Library (MPDS-CL): A Structure based Classification of the Chemical Space
32. Polypharmacology guided drug repositioning approach for SARS-CoV2
33. Estimation of genetic variation in yield, its contributing characters and capsaicin content of Capsicum chinense Jacq. (ghost pepper) germplasm from Northeast India
34. Seroepidemiological and genomic investigation of SARS-CoV-2 spread in North East region of India
35. Galaxy for open-source computational drug discovery solutions
36. Targeting progesterone metabolism in breast cancer with l-proline derived new 14-azasteroids
37. Molecular dynamics simulations reveal the effect of mutations in the RING domains of BRCA1-BARD1 complex and its relevance to the prognosis of breast cancer.
38. Contributors
39. Molecular Modeling
40. Controlled Ni doping on a g-C3N4/CuWO4 photocatalyst for improved hydrogen evolution
41. Controlled Ni doping on a g-C3N4/CuWO4 photocatalyst for improved hydrogen evolution.
42. Exploring the potential of iron to replace ruthenium in photosensitizers: a computational study
43. Design and synthesis of 3-(3-((9H-carbazol-4-yl)oxy)-2-hydroxypropyl)-2-phenylquinazolin-4(3H)-one derivatives to induce ACE inhibitory activity
44. Luotonin-A based quinazolinones cause apoptosis and senescence via HDAC inhibition and activation of tumor suppressor proteins in HeLa cells
45. Prophylactic and therapeutic potential of active phytoconstituents from Amomum subulatum Roxb
46. On the origin of spurious errors in many-body expansion for water cluster
47. Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis ( MPDS TB )
48. Anomalous Lithium Adsorption Propensity of Monolayer Carbonaceous Materials: A Density Functional Study
49. 1:1 and 2:1 cocrystallizations of alkoxy-substituted naphthalene derivatives with octafluoronaphthalene through arene–perfluoroarene interactions
50. Pyrazole derivatives as potent inhibitors of c-Jun N-terminal kinase: Synthesis and SAR studies
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