Protein dynamics by NMR has been reviewed extensively in recent years [1–10]. These
surveys show decisively that information on structure should be complemented by …

Abstract Domain dynamics in biomacromolecules is currently an area of intense research
because of its importance for understanding the huge quantity of available data relating the …

We developed in recent years the slowly relaxing local structure (SRLS) approach for
analyzing NMR spin relaxation in proteins. SRLS is a two-body coupled rotator model which …

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 …

Abstract [FeFe]-hydrogenases catalyse the reduction of protons to hydrogen at a complex
2Fe [4Fe4S] center called H-cluster. The assembly of this active site is a multistep process …

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 …

The description of the reorientational dynamics of flexible molecules is a challenging task, in
particular when the rates of internal and global motions are comparable. The commonly …

Frataxin is a highly conserved protein whose deficiency results in the neurodegenerative
disease Friederich's ataxia. Frataxin's actual physiological function has been debated for a …

In this work, we present novel fullerene (C60) end-capped rod-like polypeptide-polymers,
obtained by one-pot thiol–ene chemistry. These systems are able to self-assemble in water …

A computational stochastic approach is applied to the description of flexible molecules. By
combining (i) molecular dynamics simulations,(ii) hydrodynamics approaches, and (iii) a …