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

J Šponer, G Bussi, M Krepl, P Banáš… - Chemical …, 2018 - pmc.ncbi.nlm.nih.gov
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 …

Nucleic acid catalysis: metals, nucleobases, and other cofactors

WL Ward, K Plakos, VJ DeRose - Chemical reviews, 2014 - ACS Publications
The discovery of RNA-catalyzed phosphodiester bond cleavage by Cech and Altman in
1982− 1983 shattered the paradigm of protein-dependent biological catalysis and opened …

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 …

How to understand atomistic molecular dynamics simulations of RNA and protein–RNA complexes?

J Šponer, M Krepl, P Banáš, P Kührová… - Wiley …, 2017 - Wiley Online Library
We provide a critical assessment of explicit‐solvent atomistic molecular dynamics (MD)
simulations of RNA and protein/RNA complexes, written primarily for non‐specialists with an …

Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction

A Mir, J Chen, K Robinson, E Lendy, J Goodman… - Biochemistry, 2015 - ACS Publications
The hammerhead ribozyme is a self-cleaving RNA broadly dispersed across all kingdoms of
life. Although it was the first of the small, nucleolytic ribozymes discovered, the mechanism …

Self-cleaving ribozymes: substrate specificity and synthetic biology applications

H Peng, B Latifi, S Müller, A Lupták, IA Chen - RSC Chemical Biology, 2021 - pubs.rsc.org
Various self-cleaving ribozymes appearing in nature catalyze the sequence-specific
intramolecular cleavage of RNA and can be engineered to catalyze cleavage of appropriate …

Quantum mechanical/molecular mechanical free energy simulations of the self-cleavage reaction in the hepatitis delta virus ribozyme

A Ganguly, P Thaplyal, E Rosta… - Journal of the …, 2014 - ACS Publications
The hepatitis delta virus (HDV) ribozyme catalyzes a self-cleavage reaction using a
combination of nucleobase and metal ion catalysis. Both divalent and monovalent ions can …

The structure of a nucleolytic ribozyme that employs a catalytic metal ion

Y Liu, TJ Wilson, DMJ Lilley - Nature chemical biology, 2017 - nature.com
The TS ribozyme (originally called “twister sister”) is a catalytic RNA. We present a crystal
structure of the ribozyme in a pre-reactive conformation. Two co-axial helical stacks are …

From general base to general acid catalysis in a sodium-specific DNAzyme by a guanine-to-adenine mutation

L Ma, S Kartik, B Liu, J Liu - Nucleic Acids Research, 2019 - academic.oup.com
Recently, a few Na+-specific RNA-cleaving DNAzymes were reported, where nucleobases
are likely to play critical roles in catalysis. The NaA43 and NaH1 DNAzymes share the same …

Inverse thio effects in the hepatitis delta virus ribozyme reveal that the reaction pathway is controlled by metal ion charge density

P Thaplyal, A Ganguly, S Hammes-Schiffer… - Biochemistry, 2015 - ACS Publications
The hepatitis delta virus (HDV) ribozyme self-cleaves in the presence of a wide range of
monovalent and divalent ions. Prior theoretical studies provided evidence that self-cleavage …