Literature DB >> 34009383

OxDNA.org: a public webserver for coarse-grained simulations of DNA and RNA nanostructures.

Erik Poppleton1, Roger Romero1, Aatmik Mallya1, Lorenzo Rovigatti2, Petr Šulc1.   

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.
© The Author(s) 2021. Published by Oxford University Press on behalf of Nucleic Acids Research.

Entities:  

Year:  2021        PMID: 34009383      PMCID: PMC8265093          DOI: 10.1093/nar/gkab324

Source DB:  PubMed          Journal:  Nucleic Acids Res        ISSN: 0305-1048            Impact factor:   16.971


  38 in total

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Authors:  Shawn M Douglas; Ido Bachelet; George M Church
Journal:  Science       Date:  2012-02-17       Impact factor: 47.728

2.  Direct Simulation of the Self-Assembly of a Small DNA Origami.

Authors:  Benedict E K Snodin; Flavio Romano; Lorenzo Rovigatti; Thomas E Ouldridge; Ard A Louis; Jonathan P K Doye
Journal:  ACS Nano       Date:  2016-01-22       Impact factor: 15.881

3.  Programmable energy landscapes for kinetic control of DNA strand displacement.

Authors:  Robert R F Machinek; Thomas E Ouldridge; Natalie E C Haley; Jonathan Bath; Andrew J Turberfield
Journal:  Nat Commun       Date:  2014-11-10       Impact factor: 14.919

4.  TacoxDNA: A user-friendly web server for simulations of complex DNA structures, from single strands to origami.

Authors:  Antonio Suma; Erik Poppleton; Michael Matthies; Petr Šulc; Flavio Romano; Ard A Louis; Jonathan P K Doye; Cristian Micheletti; Lorenzo Rovigatti
Journal:  J Comput Chem       Date:  2019-07-13       Impact factor: 3.376

5.  A nucleotide-level coarse-grained model of RNA.

Authors:  Petr Šulc; Flavio Romano; Thomas E Ouldridge; Jonathan P K Doye; Ard A Louis
Journal:  J Chem Phys       Date:  2014-06-21       Impact factor: 3.488

6.  RNA Origami Nanostructures for Potent and Safe Anticancer Immunotherapy.

Authors:  Xiaodong Qi; Xiaowei Liu; Lawrence Matiski; Ryan Rodriguez Del Villar; Theresa Yip; Fei Zhang; Sriram Sokalingam; Shuoxing Jiang; Li Liu; Hao Yan; Yung Chang
Journal:  ACS Nano       Date:  2020-04-15       Impact factor: 15.881

7.  cgDNAweb: a web interface to the cgDNA sequence-dependent coarse-grain model of double-stranded DNA.

Authors:  Lennart De Bruin; John H Maddocks
Journal:  Nucleic Acids Res       Date:  2018-07-02       Impact factor: 16.971

8.  MrDNA: a multi-resolution model for predicting the structure and dynamics of DNA systems.

Authors:  Christopher Maffeo; Aleksei Aksimentiev
Journal:  Nucleic Acids Res       Date:  2020-05-21       Impact factor: 16.971

9.  Design principles for rapid folding of knotted DNA nanostructures.

Authors:  Vid Kočar; John S Schreck; Slavko Čeru; Helena Gradišar; Nino Bašić; Tomaž Pisanski; Jonathan P K Doye; Roman Jerala
Journal:  Nat Commun       Date:  2016-02-18       Impact factor: 14.919

Review 10.  Opportunities and challenges for the clinical translation of structured DNA assemblies as gene therapeutic delivery and vaccine vectors.

Authors:  Marina A Dobrovolskaia; Mark Bathe
Journal:  Wiley Interdiscip Rev Nanomed Nanobiotechnol       Date:  2020-07-15
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  5 in total

1.  Planar 2D wireframe DNA origami.

Authors:  Xiao Wang; Shanshan Li; Hyungmin Jun; Torsten John; Kaiming Zhang; Hannah Fowler; Jonathan P K Doye; Wah Chiu; Mark Bathe
Journal:  Sci Adv       Date:  2022-05-20       Impact factor: 14.957

2.  Nanobase.org: a repository for DNA and RNA nanostructures.

Authors:  Erik Poppleton; Aatmik Mallya; Swarup Dey; Joel Joseph; Petr Šulc
Journal:  Nucleic Acids Res       Date:  2022-01-07       Impact factor: 16.971

3.  Far-Field Electrostatic Signatures of Macromolecular 3D Conformation.

Authors:  Gunnar Kloes; Timothy J D Bennett; Alma Chapet-Batlle; Ali Behjatian; Andrew J Turberfield; Madhavi Krishnan
Journal:  Nano Lett       Date:  2022-09-20       Impact factor: 12.262

4.  Rapid prototyping of arbitrary 2D and 3D wireframe DNA origami.

Authors:  Hyungmin Jun; Xiao Wang; Molly F Parsons; William P Bricker; Torsten John; Shanshan Li; Steve Jackson; Wah Chiu; Mark Bathe
Journal:  Nucleic Acids Res       Date:  2021-10-11       Impact factor: 16.971

Review 5.  RNA 3D Structure Prediction Using Coarse-Grained Models.

Authors:  Jun Li; Shi-Jie Chen
Journal:  Front Mol Biosci       Date:  2021-07-02
  5 in total

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