264 results on '"Polimeno, Antonino"'
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2. Intrinsic Flexibility beyond the Highly Ordered DNA Tetrahedron: An Integrative Spectroscopic and Molecular Dynamics Approach.
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3. Selenocysteine oxidation in glutathione peroxidase catalysis: an MS-supported quantum mechanics study
4. On the reliability of NMR relaxation data analyses: A Markov Chain Monte Carlo approach
5. Evidence for water-mediated triplet–triplet energy transfer in the photoprotective site of the peridinin–chlorophyll a–protein
6. Glycosidic linkage flexibility: The ψ torsion angle has a bimodal distribution in α-L-Rhap-(1→2)-α-L-Rhap-OMe as deduced from 13C NMR spin relaxation.
7. Triplet–triplet energy transfer in fucoxanthin-chlorophyll protein from diatom Cyclotella meneghiniana: Insights into the structure of the complex
8. The roto-conformational diffusion tensor as a tool to interpret molecular flexibility.
9. Stochastic modeling of macromolecules in solution. II. Spectral densities.
10. Stochastic modeling of macromolecules in solution. I. Relaxation processes.
11. Structural dynamics of bio-macromolecules by NMR: The slowly relaxing local structure approach
12. Simulation of electron spin resonance spectroscopy in diverse environments: An integrated approach
13. Heuristic approaches to the optimization of acceptor systems in bulk heterojunction cells: a computational study
14. Time correlated fluorescence characterization of an asymmetrically focused flow in a microfluidic device
15. An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments
16. Evaluation of translational friction coefficients of micro-sized spherical probes in nematic liquid crystals
17. Stochastic modelling of roto-translational motion of dyes in micellar environment
18. Protein dynamics from NMR: The slowly relaxing local structure analysis compared with model-free analysis
19. Separation of fast and slow processes form a stochastic cage model of molecular dynamics
20. Parameter free evaluation of SN2 reaction rates for halide substitution in halomethane.
21. Enabling Circular Economy: The Overlooked Role of Inorganic Materials Chemistry.
22. Multiscale modeling of reaction rates: application to archetypal SN2 nucleophilic substitutions.
23. Modelling of Ca2+-promoted structural effects in wild type and post-translationally modified Connexin26.
24. An integrated approach to NMR spin relaxation in flexible biomolecules: Application to β-D-glucopyranosyl-(1→6)-α-D-mannopyranosyl-OMe.
25. Evaluation of translational friction coefficients of macroscopic probes in nematic liquid crystals.
26. On the interpretation of continuous wave electron spin resonance spectra of tempo-palmitate in 5-cyanobiphenyl.
27. Dynamics of liquid benzene: A cage analysis.
28. A dissipative particle dynamics description of liquid-crystalline phases. I. Methodology and applications.
29. Evaluation of the viscoelastic properties of a nematic dimer by cone-and-plate rheo-nuclear magnetic resonance spectroscopy and comparison with Leslie–Ericksen theory.
30. Experimental evidence at atomic resolution of intra- and intermolecular CO⋯π(arene) bond interactions
31. Multiscale modeling for interpreting nuclear magnetic resonance relaxation in flexible molecules
32. General theoretical/computational tool for interpreting NMR spin relaxation in proteins
33. Integrated approach for modeling the emission fluorescence of 4-(N,N-dimethylamino)benzonitrile in polar environment
34. Ab initio modeling of CW-ESR spectra of the double spin labeled peptide Fmoc-[(Aib-Aib-TOAC).sub.2]-Aib-OMe in acetonitrile
35. Methyl dynamics in proteins from NMR slowly relaxing local structure spin relaxation analysis: A new perspective
36. Stochastic modeling of CW-ESR spectroscopy of [60]fulleropyrrolidine bisadducts with nitroxide probes
37. The selenenic acid selenenylamide switch in Glutathione Peroxidases
38. Computational Electron Paramagnetic Resonance SpectroscopyReference Module in Chemistry, Molecular Sciences and Chemical Engineering
39. Mechanism of GSH Peroxidases II: Identification by MS of a selenenylamide as stable oxidized form of Sec and its conversion to dehydroalanine
40. Mechanism of GSH Peroxidases I: a DFT/QM analysis of the catalytic cycle
41. Similarity and Specificity of Chlorophyll b Triplet State in Comparison to Chlorophyll a as Revealed by EPR/ENDOR and DFT Calculations.
42. Changes in the fraction of strongly attached cross bridges in mouse atrophic and hypertrophic muscles as revealed by continuous wave electron paramagnetic resonance. .
43. Evaluating rotation diffusion properties of molecules from short trajectories.
44. DiTe2: Calculating the diffusion tensor for flexible molecules.
45. Studies of spin relaxation and molecular dynamics in liquid crystals by two-dimensional Fourier transform electron spin resonance. II. Perdeuterated-tempone in butoxy benzylidene octylaniline and dynamic cage effects.
46. Studies of spin relaxation and molecular dynamics in liquid crystals by two-dimensional Fourier transform electron spin resonance. I. Cholestane in butoxy benzylidene-octylaniline and dynamic cage effects.
47. Rotational dynamics of axially symmetric solutes in isotropic solvents. II. The stochastic model.
48. Rotational dynamics of axially symmetric solutes in isotropic liquids. I. A collective cage description from molecular dynamics simulations.
49. A cage model of liquids supported by molecular dynamics simulations. II. The stochastic model.
50. A stochastic cage model for linear solutes.
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