141 results on '"Manas, Eric S."'
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2. CADD medicine: design is the potion that can cure my disease
3. Collaborating to improve the use of free-energy and other quantitative methods in drug discovery
4. Dual acting norepinephrine reuptake inhibitors and 5-HT 2A receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1 H-indoles
5. Hydrates and Solid-State Reactivity: A Survey of β-Lactam Antibiotics
6. Infrared spectra of amide groups in alpha-helical proteins: Evidence for hydrogen bonding between helices and water
7. The effects of protein environment on the low temperature electronic spectroscopy of cytochrome c and microperoxidase-11
8. Radiative Decay of Excitons in Model Aggregates of fy-Conjugated Oligomers
9. Understanding the Selectivity of Genistein for Human Estrogen Receptor-β Using X-Ray Crystallography and Computational Methods
10. ERβ Ligands. Part 2: Synthesis and structure–activity relationships of a series of 4-hydroxy-biphenyl-carbaldehyde oxime derivatives
11. ER β Ligands. Part 1: The discovery of ER β selective ligands which embrace the 4-hydroxy-biphenyl template
12. GRAM: A True Null Model for Relative Binding Affinity Predictions
13. Horseradish peroxidase monitored by infrared spectroscopy: effect of temperature, substrate and calcium
14. Chemoselective One-Pot Synthesis of Functionalized Amino-azaheterocycles Enabled by COware
15. A Perspective on Water Site Prediction Methods for Structure Based Drug Design
16. Structure-based design of estrogen receptor-Beta selective ligands
17. GRAM: A True Null Model for Relative Binding Affinity Predictions
18. Theory of coherent transient spectroscopy in molecular aggregates: The effects of interacting excitons.
19. Absorption and spontaneous emission in aggregates of conjugated polymers.
20. Spontaneous emission and absorption in model aggregates of pi-conjugated oligomers.
21. Nonlinear optical response of cofacial phthalocyanine dimers and trimers.
22. The influence of protein environment on the low temperature electronic spectroscopy of Zn-substituted cytochrome c
23. Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA2 Inhibitor
24. Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)
25. Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening
26. Novel pyrrolyl 2-aminopyridines as potent and selective human β-secretase (BACE1) inhibitors
27. Discovery and initial optimization of 5,5′-disubstituted aminohydantoins as potent β-secretase (BACE1) inhibitors
28. Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors
29. SPAM: A Simple Approach for Profiling Bound Water Molecules
30. Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
31. Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
32. Acylguanidine inhibitors of β-secretase: Optimization of the pyrrole ring substituents extending into the S 1 and S 3 substrate binding pockets
33. Acylguanidine inhibitors of β-secretase: Optimization of the pyrrole ring substituents extending into the [formula omitted] substrate binding pocket
34. Dual acting norepinephrine reuptake inhibitors and 5-HT2A receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles
35. ERβ ligands. Part 6: 6 H-Chromeno[4,3- b]quinolines as a new series of estrogen receptor β-selective ligands
36. ERβ ligands. Part 5: Synthesis and structure–activity relationships of a series of 4′-hydroxyphenyl-aryl-carbaldehyde oxime derivatives
37. Acylguanidine inhibitors of β-secretase: Optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets
38. Acylguanidine inhibitors of β-secretase: Optimization of the pyrrole ring substituents extending into the substrate binding pocket
39. Hydrates and Solid-State Reactivity: β-Lactam Antibiotics
40. ERβ ligands. Part 6: 6H-Chromeno[4,3-b]quinolines as a new series of estrogen receptor β-selective ligands
41. Critical evaluation of methods to incorporate entropy loss upon binding in high‐throughput docking
42. Acylguanidines as Small-Molecule β-Secretase Inhibitors
43. ERβ ligands. Part 4: Synthesis and structure–activity relationships of a series of 2-phenylquinoline derivatives
44. Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones
45. ERβ Ligands. 3. Exploiting Two Binding Orientations of the 2-Phenylnaphthalene Scaffold To Achieve ERβ Selectivity
46. 7‐Substituted 2‐Phenyl‐benzofurans as ERβ Selective Ligands.
47. Structure-Based Design of Estrogen Receptor-β Selective Ligands
48. Design and Synthesis of Aryl Diphenolic Azoles as Potent and Selective Estrogen Receptor-β Ligands
49. Electronic interactions in metal complexed photoconducting polymers: a ZINDO study
50. Infrared Spectra of Amide Groups in α-Helical Proteins: Evidence for Hydrogen Bonding between Helices and Water
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