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 …

[HTML][HTML] Biomolecular NMR in the AI-assisted structural biology era: Old tricks and new opportunities

TK Karamanos, S Matthews - Biochimica et Biophysica Acta (BBA)-Proteins …, 2024 - Elsevier
Over the last 40 years nuclear magnetic resonance (NMR) spectroscopy has established
itself as one of the most versatile techniques for the characterization of biomolecules …

Atomic resolution map of the solvent interactions driving SOD1 unfolding in CAPRIN1 condensates

R Ahmed, M Liang, RP Hudson, AK Rangadurai… - Proceedings of the …, 2024 - pnas.org
Biomolecules can be sequestered into membrane-less compartments, referred to as
biomolecular condensates. Experimental and computational methods have helped define …

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 …

A delayed decoupling methyl-TROSY pulse sequence for atomic resolution studies of folded proteins and RNAs in condensates

R Ahmed, AK Rangadurai, L Ruetz, M Tollinger… - Journal of Magnetic …, 2024 - Elsevier
Solution NMR spectroscopy has tremendous potential for providing atomic resolution
insights into the interactions between proteins and nucleic acids partitioned into condensed …

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 Interpretation of Transverse Spin Relaxation by Translational Diffusion in Liquids Under Arbitrary Potentials

Y Okuno - bioRxiv, 2024 - biorxiv.org
Intermolecular spin relaxation by translational motion of spin pairs have been widely used to
study properties of the biomolecules in liquids. Notably, solvent paramagnetic relaxation …

Merging-limited coarsening governs long-term stability of nanoscale condensates

F Chen, Y Zhang, HC Shum - bioRxiv, 2023 - biorxiv.org
Droplet coarsening occurs in a variety of fields, characterized by the spontaneous growth of
smaller droplets into larger ones to minimize their interfacial free energy and achieve global …

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 …