Aarhus University Seal / Aarhus Universitets segl

Comparative simulative analysis of single and double stranded truncated octahedral DNA nanocages

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avisTidsskriftartikelForskningpeer review

Standard

Comparative simulative analysis of single and double stranded truncated octahedral DNA nanocages. / Iacovelli, Federico; Falconi, Mattia; Knudsen, Birgitta R.; Desideri, Alessandro.

I: RSC Advances, Bind 6, Nr. 42, 2016, s. 35160-35166.

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avisTidsskriftartikelForskningpeer review

Harvard

APA

CBE

MLA

Vancouver

Author

Iacovelli, Federico ; Falconi, Mattia ; Knudsen, Birgitta R. ; Desideri, Alessandro. / Comparative simulative analysis of single and double stranded truncated octahedral DNA nanocages. I: RSC Advances. 2016 ; Bind 6, Nr. 42. s. 35160-35166.

Bibtex

@article{45b325efa32847ccb5a2decbe2903729,
title = "Comparative simulative analysis of single and double stranded truncated octahedral DNA nanocages",
abstract = "An entirely double stranded truncated octahedral DNA nanocage structure has been modeled in silico and the molecular dynamics simulation technique has been used to characterize its dynamical properties. In this polyhedron, unlike other previously simulated truncated octahedral cages, the linker regions are represented by double helices. Simulations of nanocages, with single or double stranded linkers, have been carried out to evaluate differences in their dynamic behavior. The results indicate a higher rigidity of the double stranded nanocage in comparison with the structure sharing the same geometry but having single stranded linkers. In detail the highly constrained geometry of the entirely double stranded DNA cage generates a distortion of the polyhedron and a fixed orientation of the double helices that results in constant exposure of selected bases on the cage external surface. These bases may represent the preferential sites for chemical modifications endowing the structure with specific molecular recognition capabilities.",
author = "Federico Iacovelli and Mattia Falconi and Knudsen, {Birgitta R.} and Alessandro Desideri",
year = "2016",
doi = "10.1039/c5ra27591a",
language = "English",
volume = "6",
pages = "35160--35166",
journal = "R S C Advances",
issn = "2046-2069",
publisher = "RSC Publishing",
number = "42",

}

RIS

TY - JOUR

T1 - Comparative simulative analysis of single and double stranded truncated octahedral DNA nanocages

AU - Iacovelli, Federico

AU - Falconi, Mattia

AU - Knudsen, Birgitta R.

AU - Desideri, Alessandro

PY - 2016

Y1 - 2016

N2 - An entirely double stranded truncated octahedral DNA nanocage structure has been modeled in silico and the molecular dynamics simulation technique has been used to characterize its dynamical properties. In this polyhedron, unlike other previously simulated truncated octahedral cages, the linker regions are represented by double helices. Simulations of nanocages, with single or double stranded linkers, have been carried out to evaluate differences in their dynamic behavior. The results indicate a higher rigidity of the double stranded nanocage in comparison with the structure sharing the same geometry but having single stranded linkers. In detail the highly constrained geometry of the entirely double stranded DNA cage generates a distortion of the polyhedron and a fixed orientation of the double helices that results in constant exposure of selected bases on the cage external surface. These bases may represent the preferential sites for chemical modifications endowing the structure with specific molecular recognition capabilities.

AB - An entirely double stranded truncated octahedral DNA nanocage structure has been modeled in silico and the molecular dynamics simulation technique has been used to characterize its dynamical properties. In this polyhedron, unlike other previously simulated truncated octahedral cages, the linker regions are represented by double helices. Simulations of nanocages, with single or double stranded linkers, have been carried out to evaluate differences in their dynamic behavior. The results indicate a higher rigidity of the double stranded nanocage in comparison with the structure sharing the same geometry but having single stranded linkers. In detail the highly constrained geometry of the entirely double stranded DNA cage generates a distortion of the polyhedron and a fixed orientation of the double helices that results in constant exposure of selected bases on the cage external surface. These bases may represent the preferential sites for chemical modifications endowing the structure with specific molecular recognition capabilities.

UR - http://www.scopus.com/inward/record.url?scp=84965028247&partnerID=8YFLogxK

U2 - 10.1039/c5ra27591a

DO - 10.1039/c5ra27591a

M3 - Journal article

AN - SCOPUS:84965028247

VL - 6

SP - 35160

EP - 35166

JO - R S C Advances

JF - R S C Advances

SN - 2046-2069

IS - 42

ER -