Design and simulation of DNA, RNA and hybrid protein-nucleic acid nanostructures with oxView

被引:45
作者
Bohlin, Joakim [1 ]
Matthies, Michael [2 ,3 ]
Poppleton, Erik [2 ,3 ]
Procyk, Jonah [2 ,3 ]
Mallya, Aatmik [2 ,3 ]
Yan, Hao [2 ,3 ]
Sulc, Petr [2 ,3 ]
机构
[1] Univ Oxford, Dept Phys, Clarendon Lab, Oxford, England
[2] Arizona State Univ, Biodesign Inst, Sch Mol Sci, Tempe, AZ 85287 USA
[3] Arizona State Univ, Biodesign Inst, Ctr Mol Design & Biomimet, Tempe, AZ 85287 USA
基金
美国国家科学基金会;
关键词
D O I
10.1038/s41596-022-00688-5
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Molecular simulation has become an integral part of the DNA/RNA nanotechnology research pipeline. In particular, understanding the dynamics of structures and single-molecule events has improved the precision of nanoscaffolds and diagnostic tools. Here we present oxView, a design tool for visualization, design, editing and analysis of simulations of DNA, RNA and nucleic acid-protein nanostructures. oxView provides an accessible software platform for designing novel structures, tweaking existing designs, preparing them for simulation in the oxDNA/RNA molecular simulation engine and creating visualizations of simulation results. In several examples, we present procedures for using the tool, including its advanced features that couple the design capabilities with a coarse-grained simulation engine and scripting interface that can programmatically edit structures and facilitate design of complex structures from multiple substructures. These procedures provide a practical basis from which researchers, including experimentalists with limited computational experience, can integrate simulation and 3D visualization into their existing research programs. Sulc and colleagues describe a design tool, oxView, for visualization and analysis of simulations of DNA, RNA and nucleic acid-protein nanostructures.
引用
收藏
页码:1762 / 1788
页数:27
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