Structural dynamics of bio-macromolecules by NMR: The slowly relaxing local structure approach

E Meirovitch, YE Shapiro, A Polimeno… - Progress in nuclear …, 2010 - Elsevier
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 …

NMR spectroscopy on domain dynamics in biomacromolecules

YE Shapiro - Progress in Biophysics and Molecular Biology, 2013 - Elsevier
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 …

General theoretical/computational tool for interpreting NMR spin relaxation in proteins

M Zerbetto, A Polimeno… - The Journal of Physical …, 2009 - ACS Publications
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 …

Identifying conformational changes with site-directed spin labeling reveals that the GTPase domain of HydF is a molecular switch

L Galazzo, L Maso, E De Rosa, M Bortolus, D Doni… - Scientific reports, 2017 - nature.com
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 …

A slow relaxing species for molecular spin devices: EPR characterization of static and dynamic magnetic properties of a nitronyl nitroxide radical

A Collauto, M Mannini, L Sorace, A Barbon… - Journal of Materials …, 2012 - pubs.rsc.org
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 …

Integrated Computational Approach to the Analysis of NMR Relaxation in Proteins: Application to ps−ns Main Chain 15N−1H and Global Dynamics of the Rho …

M Zerbetto, M Buck, E Meirovitch… - The Journal of Physical …, 2011 - ACS Publications
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 …

An integrated approach to NMR spin relaxation in flexible biomolecules: Application to β-D-glucopyranosyl-(1→ 6)-α-D-mannopyranosyl-OMe

M Zerbetto, A Polimeno, D Kotsyubynskyy… - The Journal of …, 2009 - pubs.aip.org
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 …

Effect of Different Conformational Distributions on the Ultrafast Coherence Dynamics in Porphyrin-Based Polymers

A Volpato, M Zerbetto, L Bolzonello… - The Journal of …, 2019 - ACS Publications
The optical and transport properties of biological and artificial multichromophoric functional
materials are strongly affected by the disorder and electron–vibration couplings. The …

[HTML][HTML] Effects of Fe2+/Fe3+ Binding to Human Frataxin and Its D122Y Variant, as Revealed by Site-Directed Spin Labeling (SDSL) EPR Complemented by …

D Doni, L Passerini, G Audran, SRA Marque… - International Journal of …, 2020 - mdpi.com
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 …

Flexibility at a glycosidic linkage revealed by molecular dynamics, stochastic modeling, and 13 C NMR spin relaxation: conformational preferences of α-l-Rha p-α-(1→ …

R Pendrill, O Engström, A Volpato, M Zerbetto… - Physical Chemistry …, 2016 - pubs.rsc.org
The monosaccharide L-rhamnose is common in bacterial polysaccharides and the
disaccharide α-L-Rhap-α-(1→ 2)-α-L-Rhap-OMe represents a structural model for a part of …