All Stories

  1. Molecular modeling studies of pseudouridine isoxazolidinyl nucleoside analogues as potential inhibitors of the pseudouridine 5ʹ-monophosphate glycosidase
  2. A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug
  3. Probing nonlinear optical coefficients in self-assembled peptide nanotubes
  4. X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups
  5. Structural and physicochemical characterization of sulfonylhydrazone derivatives designed as hypoglycemic agents
  6. LASSBio-1289: : A new lead compound with anti-inflammatory properties
  7. An α1-adrenergic receptor ligand repurposed as a potent antiproliferative agent for head and neck squamous cell carcinoma
  8. Structural characterization of LASSBio-1601 - a novel anti-inflammatory parent compound
  9. Structure and aggregation properties of a Schiff-base zinc(ii) complex derived from cis-1,2-diaminocyclohexane
  10. False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters
  11. Synthesis of 2,3-O-benzyl-ribose and xylose and their equilibration
  12. A top–down approach to crystal engineering of a racemic Δ2-isoxazoline
  13. Functional hybrid co-crystals of humic substances: a growth forecast
  14. Experimental and theoretical characterization of N-(diethylcarbamothioyl)benzamide triclinic polymorph
  15. Experimental and in silico characterization of a biologically active inosose
  16. Crystal Morphologies and Polymorphs in Tolbutamide Microcrystalline Powder
  17. Unveiling the role of molecular interactions in crystal morphology prediction
  18. Interfacial Free Energy Driven Nanophase Separation in Poly(3-hexylthiophene)/[6,6]-Phenyl-C61-butyric Acid Methyl Ester Thin Films
  19. Potassium caffeate/caffeic acid co-crystal: the rat race between the catecholic and carboxylic moieties in an atypical co-crystal
  20. Synthesis, characterization and MD studies on chiral uranyl salen complexes were performed
  21. How molecular interactions affect crystal morphology: The case of haloperidol
  22. Part I: A comparative study of bismuth-modified screen-printed electrodes for lead detection
  23. Design, Synthesis, Molecular Docking and Crystal Structure Prediction of New Azasugar Analogues of α-Glucosidase Inhibitors
  24. Space Groups Complexity versus Molecular Interactions in Quinoline Derivatives Crystal Morphology Prediction: A Throughput Evaluation of Different in Silico Approaches
  25. Polymeric membranes conditioning for sensors applications: mechanism and influence on analytes detection
  26. From the X-rays to a reliable “low cost” computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics–X-ray diffraction approach to condensed phases
  27. Crystalline Monolayer Ordering at Substrate/Polymer Interfaces in Poly(3-hexylthiophene) Ultrathin Films
  28. Could N-(diethylcarbamothioyl)benzamide be a good ionophore for sensor membranes?
  29. Self-Organization by Chiral Recognition Based on ad hoc Chiral Pockets in Cyclotriphosphazenes with Binaphthoxy and Biphenoxy Substituents: An X-ray, NMR and Computational Study
  30. Structures and properties in different media of N,N-(diethylcarbamothioyl)furan-2-carboxamide: A ionophore for sensor membranes
  31. α-D-Tagatopyranose
  32. A Novel Integrated X-Ray Powder Diffraction (XRPD) and Molecular Dynamics (MD) Approach for Modelling Mixed-Metal (Zn, Al) Layered Double Hydroxides (LDHs).
  33. 3-Deoxy-D-galactono-1,4-lactone (3-deoxy-D-xylo-hexono-1,4-lactone)
  34. 3,7,7a-Tri-epi-casuarine pentaacetate
  35. Pentafluorophenyl (3R,4R,5R)-5-{[(3R,4R,5R)-5-azidomethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carbonylamino]methyl}-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxylate
  36. 2-C-Azidomethyl-2-deoxy-3,4-O-isopropylidene-D-ribono-1,5-lactone
  37. 2-C-Methyl-D-lyxono-1,4-lactone
  38. A Novel Integrated X-ray Powder Diffraction (XRPD) and Molecular Dynamics (MD) Approach for Modelling Mixed-Metal (Zn, Al) Layered Double Hydroxides (LDHs)
  39. N-(p-Tolyl)-β-L-rhamnopyranosylamine 1.5-hydrate
  40. 1-Amino-N,N-dibenzyl-1-deoxy-α-D-tagatopyranose methanol solvate
  41. 2-Azido-2-deoxy-3,4-O-isopropylidene-2-C-methyl-D-ribono-1,5-lactone
  42. (3R,4R,5S)-5-(Acetamidomethyl)-N-benzyl-3,4-dihydroxytetrahydrofuran-3-carboxamide
  43. 2C-Methyl-D-arabinono-1,4-lactone monohydrate
  44. 3,4-O-Isopropylidene-2-C-methyl-D-arabinono-1,5-lactone
  45. (2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octane-4,8-dione
  46. (1R,5S,8R)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one
  47. QELS and X-ray study of two dihydroxy bile salt aqueous solutions
  48. Molecular Dynamics (MD) Simulations and Large-Angle X-ray Scattering (LAXS) Studies of the Solid-State Structure and Assembly of Isotactic (R)-Poly(2,2′-dioxy-1,1′-binaphthyl-)phosphazene in the Bulk State and in the Cast Film
  49. Stereoisomer Discrimination Through π-Stacking Interactions in Spirocyclic Phosphazenes Bearing 2,2′-Dioxybiphenyl Units
  50. Diffusivity Study of Dihydroxy−Trihydroxy Bile Salt Systems
  51. Bile Salt Aggregates in the Gas Phase: An Electrospray Ionization Mass Spectrometric Study
  52. Sodium Taurodeoxycholate Structure from Solid to Liquid Phase
  53. On Tetramethylammonium Ion Role in Glycodeoxycholate Micellar Aggregate Formation
  54. X-ray, Electrolytic Conductance, and Dielectric Studies of Bile Salt Micellar Aggregates
  55. On the Micellar Aggregates of Alkali Metal Salts of Deoxycholic Acid