RNA structural dynamics as captured by molecular simulations: a comprehensive overview
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 …
pluripotent chemical species in molecular biology, and its functions are intimately linked to …
Observing biological dynamics at atomic resolution using NMR
AK Mittermaier, LE Kay - Trends in biochemical sciences, 2009 - cell.com
Biological macromolecules are highly flexible and continually undergo conformational
fluctuations on a broad spectrum of timescales. It has long been recognized that dynamics …
fluctuations on a broad spectrum of timescales. It has long been recognized that dynamics …
Structural analysis of glycans by NMR chemical shift prediction
M Lundborg, G Widmalm - Analytical chemistry, 2011 - ACS Publications
Structural determination of N-and O-linked glycans as well as polysaccharides is hampered
by the limited spectral dispersion. The computerized approach CASPER, an acronym for …
by the limited spectral dispersion. The computerized approach CASPER, an acronym for …
Molecular dynamics simulations of nucleic acids. From tetranucleotides to the ribosome
J Šponer, P Banáš, P Jurecka… - The journal of …, 2014 - ACS Publications
We present a brief overview of explicit solvent molecular dynamics (MD) simulations of
nucleic acids. We explain physical chemistry limitations of the simulations, namely, the …
nucleic acids. We explain physical chemistry limitations of the simulations, namely, the …
Characterizing RNA dynamics at atomic resolution using solution-state NMR spectroscopy
Many recently discovered noncoding RNAs do not fold into a single native conformation but
sample many different conformations along their free-energy landscape to carry out their …
sample many different conformations along their free-energy landscape to carry out their …
A general method for constructing atomic-resolution RNA ensembles using NMR residual dipolar couplings: the basis for interhelical motions revealed
L Salmon, G Bascom, I Andricioaei… - Journal of the …, 2013 - ACS Publications
The ability to modulate alignment and measure multiple independent sets of NMR residual
dipolar couplings (RDCs) has made it possible to characterize internal motions in proteins at …
dipolar couplings (RDCs) has made it possible to characterize internal motions in proteins at …
Constructing RNA dynamical ensembles by combining MD and motionally decoupled NMR RDCs: new insights into RNA dynamics and adaptive ligand recognition
AT Frank, AC Stelzer, HM Al-Hashimi… - Nucleic acids …, 2009 - academic.oup.com
We describe a strategy for constructing atomic resolution dynamical ensembles of RNA
molecules, spanning up to millisecond timescales, that combines molecular dynamics (MD) …
molecules, spanning up to millisecond timescales, that combines molecular dynamics (MD) …
Major groove width variations in RNA structures determined by NMR and impact of 13C residual chemical shift anisotropy and 1H–13C residual dipolar coupling on …
BS Tolbert, Y Miyazaki, S Barton, B Kinde… - Journal of biomolecular …, 2010 - Springer
Ribonucleic acid structure determination by NMR spectroscopy relies primarily on local
structural restraints provided by 1 H–1 H NOEs and J-couplings. When employed loosely …
structural restraints provided by 1 H–1 H NOEs and J-couplings. When employed loosely …
The preparation of site-specifically modified riboswitch domains as an example for enzymatic ligation of chemically synthesized RNA fragments
This protocol describes an efficient method for the preparation of riboswitch domains
comprising up to∼ 200 nt containing site-specific nucleoside modifications. The strategy is …
comprising up to∼ 200 nt containing site-specific nucleoside modifications. The strategy is …
Structure of a conserved retroviral RNA packaging element by NMR spectroscopy and cryo-electron tomography
Y Miyazaki, RN Irobalieva, BS Tolbert… - Journal of molecular …, 2010 - Elsevier
The 5′-untranslated regions of all gammaretroviruses contain a conserved “double-hairpin
motif”(ΨCD) that is required for genome packaging. Both hairpins (SL-C and SL-D) contain …
motif”(ΨCD) that is required for genome packaging. Both hairpins (SL-C and SL-D) contain …