[HTML][HTML] Solvent paramagnetic relaxation enhancement as a versatile method for studying structure and dynamics of biomolecular systems

AJ Lenard, FAA Mulder, T Madl - Progress in Nuclear Magnetic Resonance …, 2022 - Elsevier
Solvent paramagnetic relaxation enhancement (sPRE) is a versatile nuclear magnetic
resonance (NMR)-based method that allows characterization of the structure and dynamics …

Direct measurements of biomolecular electrostatics through experiments

J Iwahara, BM Pettitt, B Yu - Current Opinion in Structural Biology, 2023 - Elsevier
Biomolecular electrostatics has been a subject of computational investigations based on 3D
structures. This situation is changing because emerging experimental tools allow us to …

Gadolinium-Based NMR Spin Relaxation Measurements of Near-Surface Electrostatic Potentials of Biomolecules

B Yu, N Bolik-Coulon, AK Rangadurai… - Journal of the …, 2024 - ACS Publications
NMR spectroscopy is an important tool for the measurement of the electrostatic properties of
biomolecules. To this point, paramagnetic relaxation enhancements (PREs) of 1H nuclei …

NMR of Paramagnetic Proteins: 13C Derived Paramagnetic Relaxation Enhancements Are an Additional Source of Structural Information in Solution

L Querci, IB Trindade, M Invernici, JM Silva, F Cantini… - Magnetochemistry, 2023 - mdpi.com
In paramagnetic metalloproteins, longitudinal relaxation rates of 13C′ and 13Cα nuclei can
be measured using 13C detected experiments and converted into electron spin-nuclear spin …

New experimental evidence for pervasive dynamics in proteins

ERP Zuiderweg, DA Case - Protein Science, 2023 - Wiley Online Library
There is ample computational, but only sparse experimental data suggesting that pico‐ns
motions with 1 Å amplitude are pervasive in proteins in solution. Such motions, if present in …

Probing excited state 1Hα chemical shifts in intrinsically disordered proteins with a triple resonance-based CEST experiment: Application to a disorder-to-order switch

A Kumar, K Madhurima, AN Naganathan, P Vallurupalli… - Methods, 2023 - Elsevier
Over 40% of eukaryotic proteomes and 15% of bacterial proteomes are predicted to be
intrinsically disordered based on their amino acid sequence. Intrinsically disordered proteins …

Practical considerations for the measurement of near-surface electrostatics based on solvent paramagnetic relaxation enhancements

AK Rangadurai, Y Toyama, LE Kay - Journal of Magnetic Resonance, 2023 - Elsevier
Electrostatic interactions can play important roles in regulating various biological processes.
Quantifying surface electrostatics of biomolecules is, therefore, of significant interest. Recent …

Extending the Experimentally Accessible Range of Spin Dipole–Dipole Spectral Densities for Protein–Cosolute Interactions by Temperature-Dependent Solvent …

Y Okuno, GM Clore - The Journal of Physical Chemistry B, 2023 - ACS Publications
Longitudinal (Γ1) and transverse (Γ2) solvent paramagnetic relaxation enhancement (sPRE)
yields field-dependent information in the form of spectral densities that provides unique …

Quantitative analysis of the slow exchange process by 19F NMR in the presence of scalar and dipolar couplings: applications to the ribose 2′-19F probe in nucleic …

Y Toyama, I Shimada - Journal of Biomolecular NMR, 2024 - Springer
Solution NMR spectroscopy is a particularly powerful technique for characterizing the
functional dynamics of biomolecules, which is typically achieved through the quantitative …

Advances in NMR spectroscopy of small molecules in solution

P Nolis - 2023 - books.rsc.org
This book chapter covers relevant articles published in peer-reviewed journals in 2022 in
the field of NMR spectroscopy of small molecules in solution. Articles that appeared in 2022 …