505 results on '"Kurita, Noriyuki"'
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2. Proposal of novel ApoE4 inhibitors from the natural spice Cinnamon for the treatment of Alzheimer's disease: Ab initio molecular simulations
3. Natural inhibitors for severe acute respiratory syndrome coronavirus 2 main protease from Moringa oleifera, Aloe vera, and Nyctanthes arbor-tristis: molecular docking and ab initio fragment molecular orbital calculations
4. Structure-based drug design of novel M. tuberculosis InhA inhibitors based on fragment molecular orbital calculations
5. Water molecule-mediated selective inhibition of bacterial zinc metalloproteinases by non-hydroxamate compounds: Ab initio molecular simulations
6. FMO Drug Design Consortium
7. Drug Discovery Screening by Combination of X-ray Crystal Structure Analysis and FMO Calculation
8. Proposal of selective inhibitor for bacterial zinc metalloprotease: Molecular mechanics and ab initio molecular orbital calculations
9. Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations
10. Proposal of novel potent inhibitors against androgen receptor based on ab initio molecular orbital calculations
11. Proposal of novel inhibitors for vitamin-D receptor: Molecular docking, molecular mechanics and ab initio molecular orbital simulations
12. Specific interactions between tau protein and curcumin derivatives: Molecular docking and ab initio molecular orbital simulations
13. Protonation states of central amino acids in a zinc metalloprotease complexed with inhibitor: Molecular mechanics optimizations and ab initio molecular orbital calculations
14. Binding sites of Zantrin inhibitors to the bacterial cell division protein FtsZ: Molecular docking and ab initio molecular orbital calculations
15. Proposal of therapeutic curcumin derivatives for Alzheimer’s disease based on ab initio molecular simulations
16. Structural change of retinoic-acid receptor-related orphan receptor induced by binding of inverse-agonist: Molecular dynamics and ab initio molecular orbital simulations
17. In Silico Design of Natural Inhibitors of ApoE4 from the Plant Moringa oleifera: Molecular Docking and Ab Initio Fragment Molecular Orbital Calculations
18. Elucidating specific interactions for designing novel pyrrolamide derivatives as potential GyrB inhibitors based on ab initio fragment molecular orbital calculations
19. Specific interactions between the alkaline protease of P. aeruginosa and its natural peptide inhibitor: ab initio molecular simulations
20. Single-molecule junction spontaneously restored by DNA zipper
21. Specific interactions between 2-trans enoyl-acyl carrier protein reductase and its ligand: Protein-ligand docking and ab initio fragment molecular orbital calculations
22. Proposal of potent inhibitors for vitamin-D receptor based on ab initio fragment molecular orbital calculations
23. Specific interactions between mycobacterial FtsZ protein and curcumin derivatives: Molecular docking and ab initio molecular simulations
24. Proposal for novel curcumin derivatives as potent inhibitors against Alzheimer’s disease: Ab initio molecular simulations on the specific interactions between amyloid-beta peptide and curcumin
25. Specific interactions between androgen receptor and its ligand: ab initio molecular orbital calculations in water
26. Specific interactions between zinc metalloproteinase and its inhibitors: Ab initio fragment molecular orbital calculations
27. FMO calculations for zinc metalloprotease:Fragmentation of amino-acid residues coordinated to zinc ion
28. Change in binding states between catabolite activating protein and DNA induced by ligand-binding: molecular dynamics and ab initio fragment molecular orbital calculations
29. Influence of solvating water molecules on the attacking mechanisms of OH-radical to DNA base pairs: DFT calculations in explicit waters
30. Ab initio molecular simulations for proposing potent inhibitors to butyrylcholinesterases
31. Effect of D23N mutation on the dimer conformation of amyloid β-proteins: Ab initio molecular simulations in water
32. Density Functional Molecular Orbital Calculations on Longer DNA–DNA and PNA–DNA Double Strands
33. Natural inhibitors for severe acute respiratory syndrome coronavirus 2 main protease from Moringa oleifera, Aloe vera, and Nyctanthes arbor-tristis: Molecular docking and ab initio fragment molecular orbital calculations
34. Stable conformation of full-length amyloid-β (1–42) monomer in water: Replica exchange molecular dynamics and ab initio molecular orbital simulations
35. Ab initio molecular simulations on specific interactions between amyloid beta and monosaccharides
36. A combined Green’s function/density-functional theory study of electrical conducting properties of solvated single molecules tethered to Au electrodes
37. Specific interactions and binding energies between thermolysin and potent inhibitors: Molecular simulations based on ab initio molecular orbital method
38. Effect of hydration on electrical conductivity of DNA duplex: Green’s function study combined with DFT
39. A combined nonequilibrium Green’s function/density-functional theory study of electrical conducting properties of artificial DNA duplexes
40. Resonant neutral particle emission in collisions of electrons with protonated peptides with disulfide bonds at high energies
41. The effects of amino-acid mutations on specific interactions between urokinase-type plasminogen activator and its receptor: Ab initio molecular orbital calculations
42. Specific interactions between the alkaline protease of P. aeruginosa and its natural peptide inhibitor: ab initio molecular simulations
43. Ab initio molecular simulations for proposing novel peptide inhibitors blocking the ligand-binding pocket of urokinase receptor
44. Bikunin Suppresses Lipopolysaccharide-Induced Lethality through Down-Regulation of Tumor Necrosis Factor-α and Interleukin-lβ in Macrophages
45. A Molecular Orbital Calculation Method Considering Crystal Fields
46. Specific interactions between aryl hydrocarbon receptor and dioxin congeners: Ab initio fragment molecular orbital calculations
47. Ab initio molecular orbital calculations on specific interactions between urokinase-type plasminogen activator and its receptor
48. A combined simulation with ab initio MO and classical vibrational analysis on the specific interactions between thermolysin and dipeptide ligands
49. A combined DFT/Green’s function study on electrical conductivity through DNA duplex between Au electrodes
50. Molecular mechanics and molecular orbital simulations on specific interactions between peroxisome proliferator-activated receptor PPARα and plasticizer
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