Characterizing the motion of jointed DNA nanostructures using a coarse-grained model

As detailed structural characterizations of large complex DNA nanostructures are hard to obtain experimentally, particularly if they have substantial flexibility, coarse-grained modeling can potentially provide an important complementary role. Such modeling can provide a detailed view of both the av...

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Main Authors: Sharma, R, Schreck, J, Romano, F, Louis, A, Doye, J
Format: Journal article
Language:English
Published: American Chemical Society 2017
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author Sharma, R
Schreck, J
Romano, F
Louis, A
Doye, J
author_facet Sharma, R
Schreck, J
Romano, F
Louis, A
Doye, J
author_sort Sharma, R
collection OXFORD
description As detailed structural characterizations of large complex DNA nanostructures are hard to obtain experimentally, particularly if they have substantial flexibility, coarse-grained modeling can potentially provide an important complementary role. Such modeling can provide a detailed view of both the average structure and the structural fluctuations, as well as providing insight into how the nanostructure's design determines its structural properties. Here, we present a case study of jointed DNA nanostructures using the oxDNA model. In particular, we consider archetypal hinge and sliding joints, as well as more complex structures involving a number of such coupled joints. Our results highlight how the nature of the motion in these structures can sensitively depend on the precise details of the joints. Furthermore, the generally good agreement with experiments illustrates the power of this approach and suggests the use of such modeling to prescreen the properties of putative designs.
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spelling oxford-uuid:4b7239a8-724b-49f7-b86f-c4bcbe791b172022-03-26T15:43:36ZCharacterizing the motion of jointed DNA nanostructures using a coarse-grained modelJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:4b7239a8-724b-49f7-b86f-c4bcbe791b17EnglishSymplectic Elements at OxfordAmerican Chemical Society2017Sharma, RSchreck, JRomano, FLouis, ADoye, JAs detailed structural characterizations of large complex DNA nanostructures are hard to obtain experimentally, particularly if they have substantial flexibility, coarse-grained modeling can potentially provide an important complementary role. Such modeling can provide a detailed view of both the average structure and the structural fluctuations, as well as providing insight into how the nanostructure's design determines its structural properties. Here, we present a case study of jointed DNA nanostructures using the oxDNA model. In particular, we consider archetypal hinge and sliding joints, as well as more complex structures involving a number of such coupled joints. Our results highlight how the nature of the motion in these structures can sensitively depend on the precise details of the joints. Furthermore, the generally good agreement with experiments illustrates the power of this approach and suggests the use of such modeling to prescreen the properties of putative designs.
spellingShingle Sharma, R
Schreck, J
Romano, F
Louis, A
Doye, J
Characterizing the motion of jointed DNA nanostructures using a coarse-grained model
title Characterizing the motion of jointed DNA nanostructures using a coarse-grained model
title_full Characterizing the motion of jointed DNA nanostructures using a coarse-grained model
title_fullStr Characterizing the motion of jointed DNA nanostructures using a coarse-grained model
title_full_unstemmed Characterizing the motion of jointed DNA nanostructures using a coarse-grained model
title_short Characterizing the motion of jointed DNA nanostructures using a coarse-grained model
title_sort characterizing the motion of jointed dna nanostructures using a coarse grained model
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AT schreckj characterizingthemotionofjointeddnananostructuresusingacoarsegrainedmodel
AT romanof characterizingthemotionofjointeddnananostructuresusingacoarsegrainedmodel
AT louisa characterizingthemotionofjointeddnananostructuresusingacoarsegrainedmodel
AT doyej characterizingthemotionofjointeddnananostructuresusingacoarsegrainedmodel