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Coarse-grained modelling of the structural properties of DNA origami

Abstract:
We use the oxDNA coarse-grained model to provide a detailed characterization of the fundamental structural properties of DNA origami, focussing on archetypal 2D and 3D origami. The model reproduces well the characteristic pattern of helix bending in a 2D origami, showing that it stems from the intrinsic tendency of anti-parallel four-way junctions to splay apart, a tendency that is enhanced both by less screened electrostatic interactions and by increased thermal motion. We also compare to the structure of a 3D origami whose structure has been determined by cryo-electron microscopy. The oxDNA average structure has a root-mean-square deviation from the experimental structure of 8.4 Å, which is of the order of the experimental resolution. These results illustrate that the oxDNA model is capable of providing detailed and accurate insights into the structure of DNA origami, and has the potential to be used to routinely pre-screen putative origami designs and to investigate the molecular mechanisms that regulate the properties of DNA origami.
Publication status:
Published
Peer review status:
Peer reviewed

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Files:
Publisher copy:
10.1093/nar/gky1304

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Physics
Sub department:
Theoretical Physics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Oxford college:
Queens College
Role:
Author
ORCID:
0000-0002-2226-9524


Publisher:
Oxford University Press
Journal:
Nucleic Acids Research More from this journal
Volume:
47
Issue:
3
Pages:
1585–1597
Publication date:
2019-01-03
Acceptance date:
2018-12-20
DOI:
EISSN:
1362-4962
ISSN:
0305-1048


Keywords:
Pubs id:
pubs:921469
UUID:
uuid:a04b433b-87c2-407d-946d-9af84dd30f79
Local pid:
pubs:921469
Source identifiers:
921469
Deposit date:
2019-01-08

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