期刊
BIOPOLYMERS
卷 101, 期 10, 页码 992-999出版社
WILEY
DOI: 10.1002/bip.22475
关键词
octahedral geometry; DNA nano-structures; molecular dynamics simulation; single strand linkers; DNA structural parameters; principal component analysis
The structural/dynamical properties of three truncated octahedral DNA nano-cages composed by identical double helices but single strand linkers with different composition, namely 7 thymidines, 7 adenines, and 7 alternated thymidines and adenines, have been investigated through classical molecular dynamics simulations. Trajectories have been analyzed to investigate the role of the linkers in defining nano-cages stability and flexibility, including possible influence on the internal cages motions. The data indicate that the cages behavior is almost identical and that the structural/dynamical parameters measured along the trajectories are not particularly affected by the presence of different bases. These results demonstrate that the constraints imposed by the nano-structure geometry are the main factor in modulating these properties. (C) 2014 Wiley Periodicals, Inc.
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