Essential details of two techniques for distance measurements between non-identical spin
labels are summarized. One technique is based on double electron–electron resonance …

A model-free approach for simulation of EPR spectra of nitroxide spin probes in liquid-
crystalline materials was suggested and used to obtain parameters of molecular orientation …

Nanodiamonds (NDs) are a new and attractive class of materials for sensing and delivery in
biological systems. Methods for functionalizing ND surfaces are highly valuable in these …

Stable nitroxyl radicals are important tools in chemistry, biophysics, biology, and materials
science. Their stability and the sensitivity of their EPR spectra to the local environment make …

We report successful simulation of motional EPR spectra of the liquid crystal 8CB doped with
a cholestane nitroxide spin probe from fully atomistic molecular dynamics (MD) simulations …

In EPR (electron paramagnetic resonance) spectroscopy, computer simulation and least-
squares fitting are essential in extracting quantitative structural and dynamic parameters …

A general approach for the prediction of EPR spectra directly and completely from single
dynamical trajectories generated from Molecular Dynamics (MD) simulations is described …

An integrated computational methodology for interpreting NMR spin relaxation in proteins
has been developed. It combines a two-body coupled-rotator stochastic model with a …

Nitronyl nitroxides (NitR) are a family of persistent radicals widely used in molecular
magnetism and recently suggested as potential candidates for spintronic applications. In this …

An integrated computational strategy for the evaluation of reliable structures and magnetic
properties of spin probes and spin labels has been extended to aromatic species. From an …