RNA structural dynamics as captured by molecular simulations: a comprehensive overview

J Sponer, G Bussi, M Krepl, P Banáš, S Bottaro… - Chemical …, 2018 - ACS Publications
With both catalytic and genetic functions, ribonucleic acid (RNA) is perhaps the most
pluripotent chemical species in molecular biology, and its functions are intimately linked to …

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 …

2′-O-Methylation can increase the abundance and lifetime of alternative RNA conformational states

H Abou Assi, AK Rangadurai, H Shi, B Liu… - Nucleic acids …, 2020 - academic.oup.com
O-Methyl (Nm) is a highly abundant post-transcriptional RNA modification that plays
important biological roles through mechanisms that are not entirely understood. There is …

Kinetic resolution of the atomic 3D structures formed by ground and excited conformational states in an RNA dynamic ensemble

R Roy, A Geng, H Shi, DK Merriman… - Journal of the …, 2023 - ACS Publications
Knowing the 3D structures formed by the various conformations populating the RNA free-
energy landscape, their relative abundance, and kinetic interconversion rates is required to …

An RNA excited conformational state at atomic resolution

A Geng, L Ganser, R Roy, H Shi, S Pratihar… - Nature …, 2023 - nature.com
Sparse and short-lived excited RNA conformational states are essential players in cell
physiology, disease, and therapeutic development, yet determining their 3D structures …

Base-pair conformational switch modulates miR-34a targeting of Sirt1 mRNA

L Baronti, I Guzzetti, P Ebrahimi, S Friebe Sandoz… - Nature, 2020 - nature.com
MicroRNAs (miRNAs) regulate the levels of translation of messenger RNAs (mRNAs). At
present, the major parameter that can explain the selection of the target mRNA and the …

Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction

H Shi, A Rangadurai, H Abou Assi, R Roy… - Nature …, 2020 - nature.com
Biomolecules form dynamic ensembles of many inter-converting conformations which are
key for understanding how they fold and function. However, determining ensembles is …

N-terminal domain of polypyrimidine-tract binding protein is a dynamic folding platform for adaptive RNA recognition

FF Damberger, M Krepl, R Arora, I Beusch… - Nucleic Acids …, 2024 - academic.oup.com
The N-terminal RNA recognition motif domain (RRM1) of polypyrimidine tract binding protein
(PTB) forms an additional C-terminal helix α3, which docks to one edge of the β-sheet upon …

[HTML][HTML] On the specificity of the recognition of m6A-RNA by YTH reader domains

J Widmer, A Vitalis, A Caflisch - Journal of Biological Chemistry, 2024 - Elsevier
Most processes of life are the result of polyvalent interactions between macromolecules,
often of heterogeneous types and sizes. Frequently, the times associated with these …

Exposing hidden high-affinity RNA conformational states

NI Orlovsky, HM Al-Hashimi, TG Oas - Journal of the American …, 2019 - ACS Publications
RNA recognition frequently results in conformational changes that optimize intermolecular
binding. As a consequence, the overall binding affinity of RNA to its binding partners …