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 …

The chemical repertoire of natural ribozymes

JA Doudna, TR Cech - Nature, 2002 - nature.com
Although RNA is generally thought to be a passive genetic blueprint, some RNA molecules,
called ribozymes, have intrinsic enzyme-like activity—they can catalyse chemical reactions …

Correlating structural dynamics and function in single ribozyme molecules

X Zhuang, H Kim, MJB Pereira, HP Babcock, NG Walter… - Science, 2002 - science.org
We have studied the correlation between structural dynamics and function of the hairpin
ribozyme. The enzyme-substrate complex exists in either docked (active) or undocked …

The hammerhead, hairpin and VS ribozymes are catalytically proficient in monovalent cations alone

JB Murray, AA Seyhan, NG Walter, JM Burke… - Chemistry & biology, 1998 - cell.com
Background: The catalytic activity of RNA enzymes is thought to require divalent metal ions,
which are believed to facilitate RNA folding and to play a direct chemical role in the reaction …

Ribozyme speed limits

GM Emilsson, S Nakamura, A Roth, RR Breaker - Rna, 2003 - rnajournal.cshlp.org
The speed at which RNA molecules decompose is a critical determinant of many biological
processes, including those directly involved in the storage and expression of genetic …

Structure and function of the hairpin ribozyme

MJ Fedor - Journal of molecular biology, 2000 - Elsevier
The hairpin ribozyme belongs to the family of small catalytic RNAs that cleave RNA
substrates in a reversible reaction that generates 2′, 3′-cyclic phosphate and 5 …

Aminoglycoside–RNA interactions

F Walter, Q Vicens, E Westhof - Current opinion in chemical biology, 1999 - Elsevier
The structural and physico-chemical parameters promoting the binding of aminoglycosides
to RNAs are becoming clear. The strength of the interaction is dominated by electrostatics …

Single-molecule transition-state analysis of RNA folding

G Bokinsky, D Rueda, VK Misra… - Proceedings of the …, 2003 - National Acad Sciences
How RNA molecules fold into functional structures is a problem of great significance given
the expanding list of essential cellular RNA enzymes and the increasing number of …

Group II introns: structure and catalytic versatility of large natural ribozymes

K Lehmann, U Schmidt - Critical reviews in biochemistry and …, 2003 - Taylor & Francis
Group II introns are large, natural catalytic RNAs or ribozymes that were discovered in
organelles of certain protists, fungi, algae, and plants and more recently also in prokaryotic …

Specific reaction parametrization of the AM1/d Hamiltonian for phosphoryl transfer reactions: H, O, and P atoms

K Nam, Q Cui, J Gao, DM York - Journal of Chemical Theory and …, 2007 - ACS Publications
A semiempirical AM1/d Hamiltonian is developed to model phosphoryl transfer reactions
catalyzed by enzymes and ribozymes for use in linear-scaling calculations and combined …