Design, optimization and analysis of large DNA and RNA nanostructures through interactive visualization, editing and molecular simulation

التفاصيل البيبلوغرافية
العنوان: Design, optimization and analysis of large DNA and RNA nanostructures through interactive visualization, editing and molecular simulation
المؤلفون: Shuchi Sharma, Petr Šulc, Erik Poppleton, Fei Zhang, Michael Matthies, Joakim Bohlin
المصدر: Nucleic Acids Research
سنة النشر: 2020
مصطلحات موضوعية: Computer science, AcademicSubjects/SCI00010, In silico, 02 engineering and technology, Biology, computer.software_genre, 03 medical and health sciences, chemistry.chemical_compound, Software, Narese/14, Genetics, Computer Graphics, Nucleotide, Interactive visualization, 030304 developmental biology, chemistry.chemical_classification, Flexibility (engineering), 0303 health sciences, business.industry, RNA, DNA, Sequence Analysis, DNA, 021001 nanoscience & nanotechnology, Visualization, Nanostructures, ComputingMethodologies_PATTERNRECOGNITION, Narese/24, chemistry, Computer architecture, Scripting language, Nucleic acid, Methods Online, 0210 nano-technology, business, computer
الوصف: This work seeks to remedy two deficiencies in the current nucleic acid nanotechnology software environment: the lack of both a fast and user-friendly visualization tool and a standard for common structural analyses of simulated systems. We introduce here oxView, a web browser-based visualizer that can load structures with over 1 million nucleotides, create videos from simulation trajectories, and allow users to perform basic edits to DNA and RNA designs. We additionally introduce open-source software tools for extracting common structural parameters to characterize large DNA/RNA nanostructures simulated using the coarse-grained modeling tool, oxDNA, which has grown in popularity in recent years and is frequently used to prototype new nucleic acid nanostructural designs, model biophysics of DNA/RNA processes, and rationalize experimental results. The newly introduced software tools facilitate the computational characterization of DNA/RNA designs by providing multiple analysis scripts, including mean structures and structure flexibility characterization, hydrogen bond fraying, and interduplex angles. The output of these tools can be loaded into oxView, allowing users to interact with the simulated structure in a 3D graphical environment and modify the structures to achieve the required properties. We demonstrate these newly developed tools by applying them toin silicodesign, optimization and analysis of a range of DNA and RNA nanostructures.
تدمد: 0305-1048
DOI: 10.1093/nar/gkaa417
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c414331748b19d88d1a45011595a6b89
حقوق: OPEN
رقم الأكسشن: edsair.doi.dedup.....c414331748b19d88d1a45011595a6b89
قاعدة البيانات: OpenAIRE
الوصف
تدمد:03051048
DOI:10.1093/nar/gkaa417