AI-designed NMR spectroscopy RF pulses for fast acquisition at high and ultra-high magnetic fields

VS Manu, C Olivieri, G Veglia - Nature communications, 2023 - nature.com
Nuclear magnetic resonance (NMR) spectroscopy is a powerful high-resolution tool for
characterizing biomacromolecular structure, dynamics, and interactions. However, the …

Visualizing transient Watson–Crick-like mispairs in DNA and RNA duplexes

IJ Kimsey, K Petzold, B Sathyamoorthy, ZW Stein… - Nature, 2015 - nature.com
Rare tautomeric and anionic nucleobases are believed to have fundamental biological
roles, but their prevalence and functional importance has remained elusive because they …

RNA conformational propensities determine cellular activity

ML Ken, R Roy, A Geng, LR Ganser, A Manghrani… - Nature, 2023 - nature.com
Cellular processes are the product of interactions between biomolecules, which associate to
form biologically active complexes. These interactions are mediated by intermolecular …

High-performance virtual screening by targeting a high-resolution RNA dynamic ensemble

LR Ganser, J Lee, A Rangadurai… - Nature structural & …, 2018 - nature.com
Dynamic ensembles hold great promise in advancing RNA-targeted drug discovery. Here
we subjected the transactivation response element (TAR) RNA from human …

Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR

NN Patwardhan, LR Ganser, GJ Kapral… - …, 2017 - pubs.rsc.org
Diversification of RNA-targeted scaffolds offers great promise in the search for selective
ligands of therapeutically relevant RNA such as HIV-1 TAR. We herein report the …

NMR characterization of RNA small molecule interactions

RD Thompson, JT Baisden, Q Zhang - Methods, 2019 - Elsevier
Exciting discoveries of naturally occurring ligand-sensing and disease-linked noncoding
RNAs have promoted significant interests in understanding RNA-small molecule …

RNA structural differentiation: opportunities with pattern recognition

CS Eubanks, AE Hargrove - Biochemistry, 2018 - ACS Publications
Our awareness and appreciation of the many regulatory roles of RNA have dramatically
increased in the past decade. This understanding, in addition to the impact of RNA in many …

Insights into Watson–Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A

B Sathyamoorthy, H Shi, H Zhou, Y Xue… - Nucleic acids …, 2017 - academic.oup.com
In the canonical DNA double helix, Watson–Crick (WC) base pairs (bps) exist in dynamic
equilibrium with sparsely populated (∼ 0.02–0.4%) and short-lived (lifetimes∼ 0.2–2.5 ms) …

15N and 13C- SOFAST-HMQC editing enhances 3D-NOESY sensitivity in highly deuterated, selectively [1H,13C]-labeled proteins

P Rossi, Y Xia, N Khanra, G Veglia… - Journal of biomolecular …, 2016 - Springer
The ongoing NMR method development effort strives for high quality multidimensional data
with reduced collection time. Here, we apply 'SOFAST-HMQC'to frequency editing in 3D …

Characterizing RNA excited states using NMR relaxation dispersion

Y Xue, D Kellogg, IJ Kimsey, B Sathyamoorthy… - Methods in …, 2015 - Elsevier
Abstract Changes in RNA secondary structure play fundamental roles in the cellular
functions of a growing number of noncoding RNAs. This chapter describes NMR-based …