title: Influence of the single-strand linker composition on the structural/dynamical properties of a truncated octahedral DNA nano-cage family.
abstract: 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
authors.forename: Federico
authors.initials: F
authors.lastname: Iacovelli
authors.forename: Cassio
authors.initials: C
authors.lastname: Alves
authors.forename: Mattia
authors.initials: M
authors.lastname: Falconi
authors.forename: Francesco
authors.initials: F
authors.lastname: Oteri
authors.forename: Cristiano L P
authors.initials: CL
authors.lastname: de Oliveira
authors.forename: Alessandro
authors.initials: A
authors.lastname: Desideri
mesh_terms: D001483:Base Sequence; D004247:DNA / Q000737:chemistry*; D006860:Hydrogen Bonding; D008969:Molecular Sequence Data; D053758:Nanoparticles / Q000737:chemistry*; D009690:Nucleic Acid Conformation; D009711:Nucleotides / Q000737:chemistry; D025341:Principal Component Analysis; D013997:Time Factors
chemical_list: D009711:Nucleotides; D004247:DNA