RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview

• Published in: Chemical reviews Vol. 118; no. 8; pp. 4177 - 4338
• Main Authors: Šponer, Jiří, Bussi, Giovanni, Krepl, Miroslav, Banáš, Pavel, Bottaro, Sandro, Cunha, Richard A, Gil-Ley, Alejandro, Pinamonti, Giovanni, Poblete, Simón, Jurečka, Petr, Walter, Nils G, Otyepka, Michal
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 25.04.2018
• Subjects: Catalysis; Chemical speciation; Computer Simulation; Decoding; DNA - chemistry; Dynamic structural analysis; Molecular biology; Molecular chemistry; Molecular dynamics; Molecular Dynamics Simulation; Molecules; Nucleic Acid Conformation; Oligonucleotides; Organic chemistry; Proteins; Review; Ribonucleic acid; RNA; RNA - chemistry; Sampling methods; Simulation; Spatial resolution

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 its structure and dynamics. Computer simulations, and in particular atomistic molecular dynamics (MD), allow structural...