235 results on '"Sastry, G. Narahari"'
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2. Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal
3. Reversible and irreversible functionalization of graphene
4. 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
5. ChatGPT in the Material Design: Selected Case Studies to Assess the Potential of ChatGPT
6. Green synthesis of nanocellulose supported cu-bionanocomposites and their profound applicability in the synthesis of amide derivatives and controlling of food-borne pathogens
7. Analyzing the aromatic-aromatic interactions in proteins: A2ID 2.0
8. Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space
9. Analyzing the cation‐aromatic interactions in proteins: Cation‐aromatic database V2.0
10. Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): An open access disease specific drug discovery portal
11. Molecular Property Diagnostic Suite Compound Library (MPDS-CL): A Structure based Classification of the Chemical Space
12. Polypharmacology guided drug repositioning approach for SARS-CoV2
13. Agarwood (Aquilaria malaccensis L.) a quality fragrant and medicinally significant plant based essential oil with pharmacological potentials and genotoxicity
14. Estimation of genetic variation in yield, its contributing characters and capsaicin content of Capsicum chinense Jacq. (ghost pepper) germplasm from Northeast India
15. Contributors
16. Seroepidemiological and genomic investigation of SARS-CoV-2 spread in North East region of India
17. Galaxy for open-source computational drug discovery solutions
18. 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
19. Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials
20. OSADHI – An online structural and analytics based database for herbs of India
21. Controlled Ni doping on a g-C3N4/CuWO4 photocatalyst for improved hydrogen evolution
22. Deciphering the importance of MD descriptors in designing Vitamin D Receptor agonists and antagonists using machine learning
23. Glycoprotein attachment with host cell surface receptor ephrin B2 and B3 in mediating entry of nipah and hendra virus: a computational investigation
24. Prophylactic and therapeutic potential of active phytoconstituents from Amomum subulatum Roxb
25. North East India medicinal plants database (NEI-MPDB)
26. A structure-based drug repurposing approach by considering the twenty four SARS-CoV2 Targets: A consensus scoring approach
27. A Computational Study on the Interaction of NSP10 and NSP14: Unraveling the RNA Synthesis Proofreading Mechanism in SARS-CoV-2, SARS-CoV, and MERS-CoV
28. Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study
29. Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite
30. Bandgap engineering of ZnX (X = O, S, Se, Te) QDs/Graphene nanocomposites: Towards the designing of a highly efficient light-harvesting device
31. 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
32. Applying polypharmacology approach for drug repurposing for SARS-CoV2
33. Seroepidemiological and genomic investigation of COVID-19 spread in North East region of India
34. COVID-19 impact on Socio-economic and Health Interventions: A Gaps and Peaks analysis using Clustering Approach
35. 2D-Double transition metal MXenes for spintronics applications: surface functionalization induced ferromagnetic half-metallic complexes
36. Molecular Modeling
37. Study of lipid heterogeneity on bilayer membranes using molecular dynamics simulations
38. Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing
39. Fate of Sc-Ion Interaction With Water: A Computational Study to Address Splitting Water Versus Solvating Sc Ion
40. A perspective on the nature of cation-π interactions
41. Drug repositioning for anti-tuberculosis drugs: an in silico polypharmacology approach
42. Mycobacterium tuberculosis Cell Wall Permeability Model Generation Using Chemoinformatics and Machine Learning Approaches
43. Repurposing of approved drug molecules for viral infectious diseases: a molecular modelling approach
44. Insights from a Pan India Sero-Epidemiological survey (Phenome-India Cohort) for SARS-CoV-2
45. Study of Lipid Heterogeneity on Bilayer Membranes Using Molecular Dynamics Simulations
46. Towards developing a criterion to characterize non-covalent bonds: a quantum mechanical study
47. Research expedition of Prof. Eluvathingal D. Jemmis
48. Exploration of conformations and quantum chemical investigation of l-tyrosine dimers, anions, cations and zwitterions: a DFT study
49. Local and Global Intrinsic Dimensionality Estimation for Better Chemical Space Representation
50. Correlating Binding Site Residues of the Protein and Ligand Features to Its Functionality
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