OxDNA.org: a public webserver for coarse-grained simulations of DNA and RNA nanostructures. Issue Volume 49:Issue W1(2021) (1st May 2021)

• Record Type: Journal Article
• Authors: Poppleton, Erik; Romero, Roger; Mallya, Aatmik; Rovigatti, Lorenzo; Šulc, Petr
• Is Part Of: Nucleic acids research. Volume 49:Issue W1(2021)
• Page Start: W491
• Page End: W498
• Publication Date: 2021-05-01
• Subjects: Nucleic acids -- Periodicals; Molecular biology -- Periodicals; 572.805
• DOI: 10.1093/nar/gkab324
• Languages: English
• ISSNs: 0305-1048

Abstract

Abstract: OxDNA and oxRNA are popular coarse-grained models used by the DNA/RNA nanotechnology community to prototype, analyze and rationalize designed DNA and RNA nanostructures. Here, we present oxDNA.org, a graphical web interface for running, visualizing and analyzing oxDNA and oxRNA molecular dynamics simulations on a GPU-enabled high performance computing server. OxDNA.org automatically generates simulation files, including a multi-step relaxation protocol for structures exported in non-physical states from DNA/RNA design tools. Once the simulation is complete, oxDNA.org provides an interactive visualization and analysis interface using the browser-based visualizer oxView to facilitate the understanding of simulation results for a user's specific structure. This online tool significantly lowers the entry barrier of integrating simulations in the nanostructure design pipeline for users who are not experts in the technical aspects of molecular simulation. The webserver is freely available at oxdna.org. Graphical Abstract: