Characterizing micro-to-millisecond chemical exchange in nucleic acids using off-resonance R1ρ relaxation dispersion

A Rangadurai, ES Szymaski, IJ Kimsey, H Shi… - Progress in nuclear …, 2019 - Elsevier
This review describes off-resonance R 1ρ relaxation dispersion NMR methods for
characterizing microsecond-to-millisecond chemical exchange in uniformly 13 C/15 N …

NMR studies of aromatic ring flips to probe conformational fluctuations in proteins

M Akke, U Weininger - The Journal of Physical Chemistry B, 2023 - ACS Publications
Aromatic residues form a significant part of the protein core, where they make tight
interactions with multiple surrounding side chains. Despite the dense packing of internal …

Chemical exchange

AG Palmer III, H Koss - Methods in enzymology, 2019 - Elsevier
The phenomenon of chemical or conformational exchange in NMR spectroscopy has
enabled detailed characterization of time-dependent aspects of biomolecular function …

A quantitative model predicts how m6A reshapes the kinetic landscape of nucleic acid hybridization and conformational transitions

B Liu, H Shi, A Rangadurai, F Nussbaumer… - Nature …, 2021 - nature.com
ABSTRACT N 6-methyladenosine (m6A) is a post-transcriptional modification that controls
gene expression by recruiting proteins to RNA sites. The modification also slows …

Discrete-state stochastic kinetic models for target DNA search by proteins: Theory and experimental applications

J Iwahara, AB Kolomeisky - Biophysical chemistry, 2021 - Elsevier
To perform their functions, transcription factors and DNA-repair/modifying enzymes
randomly search DNA in order to locate their specific targets on DNA. Discrete-state …

Recent advances in solid-state relaxation dispersion techniques

P Rovo - Solid State Nuclear Magnetic Resonance, 2020 - Elsevier
This review describes two rotating-frame (R 1 ρ) relaxation dispersion methods, namely the
Bloch-McConnell Relaxation Dispersion and the Near-rotary Resonance Relaxation …

Rescuing off-equilibrium simulation data through dynamic experimental data with dynAMMo

C Kolloff, S Olsson - Machine Learning: Science and Technology, 2023 - iopscience.iop.org
Long-timescale behavior of proteins is fundamental to many biological processes. Molecular
dynamics (MD) simulations and biophysical experiments are often used to study protein …

A suite of 19F based relaxation dispersion experiments to assess biomolecular motions

JH Overbeck, W Kremer, R Sprangers - Journal of biomolecular NMR, 2020 - Springer
Proteins and nucleic acids are highly dynamic bio-molecules that can populate a variety of
conformational states. NMR relaxation dispersion (RD) methods are uniquely suited to …

Dynamic basis for dA• dGTP and dA• d8OGTP misincorporation via Hoogsteen base pairs

S Gu, ES Szymanski, AK Rangadurai, H Shi… - Nature Chemical …, 2023 - nature.com
Replicative errors contribute to the genetic diversity needed for evolution but in high
frequency can lead to genomic instability. Here, we show that DNA dynamics determine the …

The A39G FF domain folds on a volcano-shaped free energy surface via separate pathways

VP Tiwari, Y Toyama, D De, LE Kay… - Proceedings of the …, 2021 - National Acad Sciences
Conformational dynamics play critical roles in protein folding, misfolding, function,
misfunction, and aggregation. While detecting and studying the different conformational …