期刊
NUCLEIC ACIDS RESEARCH
卷 49, 期 W1, 页码 W491-W498出版社
OXFORD UNIV PRESS
DOI: 10.1093/nar/gkab324
关键词
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资金
- National Science Foundation [1931487]
- Arizona State University
- Direct For Computer & Info Scie & Enginr
- Office of Advanced Cyberinfrastructure (OAC) [1931487] Funding Source: National Science Foundation
OxDNA and oxRNA are popular coarse-grained models used in DNA/RNA nanotechnology. OxDNA.org is a web interface for running, visualizing and analyzing molecular dynamics simulations, making it easier for users to integrate simulations into nanostructure design pipelines.
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.
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