264 results on '"Plazinski, Wojciech"'
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2. Formation of modified chitosan/carrageenan multilayers at silica: Molecular dynamics modeling and experiments
3. Thalidomide derivatives as nanomolar human neutrophil elastase inhibitors: Rational design, synthesis, antiproliferative activity and mechanism of action
4. A comprehensive pharmacological analysis of fenoterol and its derivatives to unravel the role of β2-adrenergic receptor in zebrafish
5. Chitosan characteristics in electrolyte solutions: Combined molecular dynamics modeling and slender body hydrodynamics
6. Carrageenan molecule conformations and electrokinetic properties in electrolyte solutions: Modeling and experimental measurements
7. Exploring Free Energies of Specific Protein Conformations Using the Martini Force Field
8. Effect of the dichloro-substitution on antiproliferative activity of phthalimide-thiazole derivatives. Rational design, synthesis, elastase, caspase 3/7, and EGFR tyrosine kinase activity and molecular modeling study
9. Aggregation and weak gel formation by pectic polysaccharide homogalacturonan
10. The Conformation of Glycosidic Linkages According to Various Force Fields: Monte Carlo Modeling of Polysaccharides Based on Extrapolation of Short-Chain Properties.
11. Conformational properties of inulin, levan and arabinan studied by molecular dynamics simulations
12. Exploring Ring Conformation in Uronate Monosaccharides: Insights from Ab Initio Calculations and Classical Molecular Dynamics Simulations
13. Conformations of saturated five-membered heterocycles evaluated by MP2 calculations
14. Benzo[b]thiophene-thiazoles as potent anti-Toxoplasma gondii agents: Design, synthesis, tyrosinase/tyrosine hydroxylase inhibitors, molecular docking study, and antioxidant activity
15. Tautomeric and epimeric equilibria of aldo- and ketohexoses studied by the MD simulations and QM calculations
16. Pyranose ring puckering in aldopentoses, ketohexoses and deoxyaldohexoses. A molecular dynamics study
17. Neuroprotective Properties of Oleanolic Acid—Computational-Driven Molecular Research Combined with In Vitro and In Vivo Experiments
18. Significance of Astragaloside IV from the Roots of Astragalus mongholicus as an Acetylcholinesterase Inhibitor—From theComputational and Biomimetic Analyses to the In Vitro and In Vivo Studies of Safety
19. Conformational flexibility of the disaccharide & beta;-l-Fucp-(1 & RARR;4)-& alpha;-d-Glcp-OMe as deduced from NMR spectroscopy experiments and computer simulations
20. Exploring Ring Conformation in Uronate Monosaccharides: Insights from Ab InitioCalculations and Classical Molecular Dynamics Simulations
21. Conformational flexibility of the disaccharide β-L-Fucp-(1→4)-α-D-Glcp-OMe as deduced from NMR spectroscopy experiments and computer simulations.
22. Interaction of Chondroitin and Hyaluronan Glycosaminoglycans with Surfaces of Carboxylated Carbon Nanotubes Studied Using Molecular Dynamics Simulations
23. Kinetic characteristics of conformational changes in the hexopyranose rings
24. The influence of the hexopyranose ring geometry on the conformation of glycosidic linkages investigated using molecular dynamics simulations
25. Correction: β-1,3-Glucan synthesis, novel supramolecular self-assembly, characterization and application:Correction for ‘β-1,3-Glucan synthesis, novel supramolecular self-assembly, characterization and application’ by Robert Pylkkänen et al., Nanoscale, 2022, https://doi.org/10.1039/D2NR02731C
26. Chapter 3 - Macromolecular Properties of Fructans
27. Significance of Astragaloside IV from the Roots of Astragalus mongholicus as an Acetylcholinesterase Inhibitor—From the Computational and Biomimetic Analyses to the In Vitro and In Vivo Studies of Safety.
28. Extending the Martini 3 Coarse-Grained Force Field to Carbohydrates
29. The ‘order-to-disorder’ conformational transition in CD44 protein: An umbrella sampling analysis
30. Binding of heavy metals by algal biosorbents. Theoretical models of kinetics, equilibria and thermodynamics
31. Thermodynamic aspects of calcium binding by poly(α-L-guluronate) chains. A molecular simulation study
32. Agonist binding by the β2-adrenergic receptor: an effect of receptor conformation on ligand association–dissociation characteristics
33. Conformational properties of acidic oligo- and disaccharides and their ability to bind calcium: a molecular modeling study
34. Sorption of metal cations by alginate-based biosorbents. On the correct determination of the thermodynamic parameters
35. The Val34Met, Thr164Ile and Ser220Cys Polymorphisms of the β2-Adrenergic Receptor and Their Consequences on the Receptor Conformational Features: A Molecular Dynamics Simulation Study
36. Adsorption of hyaluronan saccharides on the surface of a single walled carbon nanotube. A computational study
37. Heavy metals binding to biosorbents. Insights into Non-Competitive Models from a simple pH-dependent model
38. Applicability of the film-diffusion model for description of the adsorption kinetics at the solid/solution interfaces
39. Conformational Properties of Glycosaminoglycan Disaccharides: A Molecular Dynamics Study
40. Theoretical models of sorption kinetics including a surface reaction mechanism: A review
41. Modeling of sorption kinetics: the pseudo-second order equation and the sorbate intraparticle diffusivity
42. Equilibrium and kinetic modeling of metal ion biosorption: on the ways of model generalization for the case of multicomponent systems
43. Molecular modeling of Ca2+-oligo(α-l-guluronate) complexes: toward the understanding of the junction zone structure in calcium alginate gels
44. Sorption of lead, copper, and cadmium by calcium alginate. Metal binding stoichiometry and the pH effect
45. Kinetics of metal ions adsorption at heterogeneous solid/solution interfaces: A theoretical treatment based on statistical rate theory
46. How does mechanism of biosorption determine the differences between the initial and equilibrium adsorption states?
47. On the applicability of the pseudo-second order equation to represent the kinetics of adsorption at solid/solution interfaces: a theoretical analysis based on the statistical rate theory
48. Comparison of Carbohydrate Force Fields in Molecular Dynamics Simulations of Protein–Carbohydrate Complexes
49. Theoretical description of the kinetics of solute adsorption at heterogeneous solid/solution interfaces: On the possibility of distinguishing between the diffusional and the surface reaction kinetics models
50. Kinetics of solute adsorption at solid/solution interfaces: A theoretical development of the empirical pseudo-first and pseudo-second order kinetic rate equations, based on applying the statistical rate theory of interfacial transport
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