145 results on '"Rao, Shashidhar N."'
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2. TRPV1 antagonism by piperazinyl-aryl compounds: A Topomer-CoMFA study and its use in virtual screening for identification of novel antagonists
3. Molecular docking studies in factor XIa binding site
4. Docking and 3-D QSAR studies on the binding of tetrahydropyrimid-2-one HIV-1 protease inhibitors
5. Utility of scoring function customization in docking-based virtual screening approaches
6. Molecular docking studies on JNK inhibitors at the allosteric JNK–JIP interaction site
7. An integrated computational workflow for efficient and quantitative modeling of renin inhibitors
8. Three-dimensional pharmacophore modelling studies on antagonists of endothelin receptor ET A
9. Conformational Studies on Model Peptides and Peptidomimetics
10. Molecular Mechanical Simulations on Double Intercalation of 9-amino Acridine into d(CGCGCGC)· d(GCGCGCG): Analysis of the Physical Basis for the Neighbor-Exclusion Principle
11. PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
12. PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching
13. Structural changes by sulfoxidation of phenothiazine drugs
14. Prediction of Organophosphorus Acetylcholinesterase Inhibition Using Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) Methods
15. Contributors
16. Modeling Drug–Receptor Interactions
17. APOLLO pharmacophores and the pseudoreceptor concept
18. Molecular mechanics studies on dipeptide models of diphenylalanine and its derivatives
19. Structural analyses of β-amino acid containing peptides
20. Molecular Mechanical Studies on the B → Z Energetics of DNA Sequences
21. Experimental conformational energy maps of proteins and peptides
22. Comprehending renin inhibitor’s binding affinity using structure-based approaches
23. Design, Synthesis, and Qualitative Structure–Activity Evaluations of Novel β-Secretase Inhibitors as Potential Alzheimer’s Drug Leads
24. Rational Design and Synthesis of Potent Dibenzazepine Motifs as β-Secretase Inhibitors
25. Molecular mechanics studies on dipeptide models of diphenylalanine and its derivatives
26. Conformational studies on model dipeptides of Gly, L -Ala and their Cα-substituted analogs
27. Validation Studies of the Site-Directed Docking Program LibDock
28. Partially Unified Multiple Property Recursive Partitioning (PUMP-RP) Analyses of Cyclooxygenase (COX) Inhibitors
29. Molecular Mechanics Studies on the Conformations of 2′,3′-Dideoxy-2′,3′-Didehydroguanine Nucleoside, D4G
30. Conformational Studies on Nucleosides with Furanose Ring Modifications. 1.
31. Conformational Studies Using Molecular Mechanics on Model Peptides with 1-Aminocycloalkane 1-Carboxylic Acid Residues
32. Conformations of Model Peptides With 1-Aminocycloalkane-1-Carboxylic Acid Residues
33. Molecular Mechanics Studies on Conformationally Restricted Dipeptide Models: 1-Acetylamino-N-methyl-2,5-cyclohexadiene-1-carboxamide and Its Derivatives
34. Nucleophilic Opening ofN-Carboalkoxy-2,3-anhydro-1-deoxymannojirimycin. A Useful Method for the Syntheses of 2-, 3- and 2,3-Disubstituted 1-Deoxynojirimycin Analogs
35. Conformational Studies on Deoxyribonucleosides of C6-Substituted Pyrimidines
36. Theoretical Simulations on d(CGCGAATTCGCG)2withcis-synThymine–Thymine Cyclobutane Dimer
37. N-Substituted dibenzoxazepines as analgesic PGE2 antagonists
38. Potent in vitro and in vivo inhibitors of platelet aggregation based upon the Arg-Gly-Asp-Phe sequence of fibrinogen. A proposal on the nature of the binding interaction between the Arg-guanidine of RGDX mimetics and the platelet GP IIb-IIIa receptor
39. NMR spectroscopy and conformational analysis of 3-deoxy-3-C-(hydroxymethyl)-1,2:5,6-di-O-isopropylidene-α-d-allofuranose
40. Protonated 3-fluoropiperidines: an unusual fluoro directing effect and a test for quantitative theories of solvation
41. Potent inhibitors of platelet aggregation based upon the Arg-Gly-Asp-Phe sequence of fibrinogen. A proposal on the nature of the binding interaction between the Asp-carboxylate of RGDX mimetics and the platelet GP IIb-IIIa receptor
42. NMR spectroscopy and conformational analysis of substituted 1,2:5,6-di-O-isopropylidene-α-d-allofuranose derivatives
43. Conformations of Cyclobut-A and Cyclobut-G: Structural Resemblance to Nucleosides and Incorporation into Double Helical DNA
44. Molecular mechanics simulations on covalent complexes of mitomycin C and its analogs with left-handed DNA duplexes
45. A general approach for atom‐type assignment and the interconversion of molecular structure files
46. All atom molecular mechanics simulations on covalent complexes of anthramycin and neothramycin with deoxydecanucleotides
47. Free energy calculation on base specificity of drug – DNA interactions: Application to daunomycin and acridine intercalation into DNA
48. Does anthramycin bind to Z-DNA as well as to B-DNA? A molecular mechanics study
49. Simulations of the B‐DNA molecular dynamics of d(CGCGAATTCGCG)2 and d(GCGCGCGCGC)2: An analysis of the role of initial geometry and a comparison of united and all‐atom models
50. Conformational energy maps of amino acids with a side chain Cβ atom derived from high-resolution protein structures.
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