214 results on '"Jelsch, C."'
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2. Synthesis, crystal structure and antibacterial studies of 2,4,6-trimetoxybenzaldehyde based dihydropyrimidine derivatives
3. Structural, NMR, IR, Hirshfeld surface, electrochemical and in vitro biochemical investigations of a new organic cyclohexaphosphate, (C6H6ClFN)4 (Li)2(P6O18)(H2O)4
4. Synthesis, crystal structure and antibacterial properties of 6-methyl-2-oxo-4-(quinolin-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
5. Crystal structure, Hirshfeld surface analysis, thermal behavior and spectroscopic investigations of a new organic cyclohexaphosphate, (C10H15N2)4(Li)2(P6O18)(H2O)6
6. Molecular rules for selectivity in lipase-catalysed acylation of lysine
7. Synthesis, structural characterisations, NMR spectroscopy, Hirshfeld surface analysis and electrochemical study of a new organic cyclohexaphosphate, (C6H7FN)4(Li)2(P6O18) (H2O)6
8. Mapping the favourable character of crystal and intermolecular contacts by electrostatic fingerprints
9. Crystal Structure of an Hexavariant of the b1 Domain of Human Neuropilin-1 in Complex with the KDKPPR Peptide
10. Crystal and geometry-optimized structure, Hirshfeld surface analysis and physicochemical studies of a new Co(II) complex with the ligand 2-amino-6-methoxypyrimidine
11. Synthesis, X-ray single crystal structure, likelihood of occurrence of intermolecular contacts, spectroscopic investigation and DFT quantum chemical calculations of zwitterionic complex: 1-Ethylpiperaziniumtrichlorozincate (II)
12. Crystal structure, Hirshfeld surface analysis, quantum mechanical study and spectroscopic characterization of the non-centrosymmetric coordination compound bis(4-fluoroaniline)dichloridozincate
13. A Hirshfeld surface analysis, crystal structure and infrared characterization of a new organic cyclohexaphosphate, (C8H12N)4(Li)2(P6O18)(H2O)6
14. Structural, crystal structure, Hirshfeld surface analysis and physicochemical studies of a new chlorocadmate template by 1-(2-hydroxyethyl)piperazine
15. A Hirshfeld surface analysis, crystal structure and physicochemical studies of zwitterionic complex: 1-(2-hydroxyethyl)piperaziniumtrichlorozincate (II)
16. Structural, Hirshfeld surface and spectroscopic studies of the noncentrosymmetric 1-ethylpiperazinediium pentachloroantimonate (III) monohydrate
17. A hirshfeld surface analysis, crystal structure and physicochemical characterization of 1-ethylpiperazinium trichlorocadmate(II)
18. Synthesis, structural characterization, Hirshfeld surface analysis and spectroscopic studies of cadmium (II) chloride complex with 4-hydroxy-1-methylpiperidine
19. Crystal structure, Hirshfeld surface analysis, quantum mechanical study and spectroscopic studies of noncentrosymmetric (S)nicotiniumtrichloridozincate monohydrate complex
20. Synthesis and physico-chemical studies of a novel layered structure with a heptanuclear Cd complex: (C9N4H28)Cd7(H2O)2Cl18·nH2O(n = 5.89)
21. Towards a total interaction potential from experimental transferred electron density
22. A rush to explore protein–ligand electrostatic interaction energy with Charger
23. Ultra-high-resolution X-ray structure of proteins
24. Structural, NMR, IR, Hirshfeld surface, electrochemical and in vitro biochemical investigations of a new organic cyclohexaphosphate, (C6H6ClFN)4 (Li)2(P6O18)(H2O)4
25. Experimental electron density of 1-phenyl-4-nitroimidazole and topological analysis of C-H...O and C-H...N hydrogen bonds
26. Synthesis, structural elucidation, spectroscopic and Hirshfeld surface analysis of a new organic cyclohexaphosphate, (C12H19N2)4(Li)2(P6O18)(H2O)4
27. Hirshfeld Surface Analysis, Crystal Structure and Spectroscopic Studies of a New Cu(II) Halocuprate Salt with Protonated N-Amino-Ethyl-Piperazine
28. Synthesis, structural characterisations, NMR spectroscopy, Hirshfeld surface analysis and electrochemical study of a new organic cyclohexaphosphate, (C 6 H 7 FN) 4 (Li) 2 (P 6 O 18 ) (H 2 O) 6
29. Equilibrium kinetics of lysozyme crystallization under an external electric field
30. Structure property relationships in halogenated aromatic amides and imides
31. Crystallization of proteins under an external electric field
32. The experimental library multipolar atom model refinement of L-aspartic acid
33. Topological analysis of proteins as derived from medium and high resolution electron density: applications to electrostatic properties
34. Advances in Proteins and Small Molecules. Charge Density Refinement Methods using software MoPro
35. Ultra high resolution in protein crystallography: towards interaction energy calculations
36. Cristallographie des protéines à haute résolution et calculs d'énergie d'interaction électrostatique
37. Ultra-high resolution protein crystallography and electrostatic interaction energies computation
38. Protein-ligand electrostatic interactions energy as derived from ultra high resolution X-ray diffraction
39. Charge density studies of ultra-high resolution protein structures
40. Frontiers in charge density modelling: the case of macromolecular structures
41. Ligand, inhibitor – protein electrostatic energy calculations from ultra high resolution refinement: MoPro refinement program
42. Multipolar refinement of aldose reductase high resolution crystal structure
43. Accurate crystallography and charge density analysis: a trip from mineralogy to protein crystallography
44. High resolution protein crystallography and electrostatic interaction energy computation
45. Relationship between Stereochemistry and Charge Density in Hydrogen Bonds with Oxygen Acceptors
46. Topological analysis of hydrogen-bonds and weak interactions in protein helices
47. Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5
48. Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 8.5
49. Exprimental and theoretical charge density studies and topological analysis of 2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitryle: case of antiparallel cyano-cyano interaction
50. Structural studies and electron-density analysis of thiophene based compounds
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