Ontology highlight
ABSTRACT:
SUBMITTER: Barcenas G
PROVIDER: S-EPMC9967300 | biostudies-literature | 2023 Feb
REPOSITORIES: biostudies-literature
Barcenas German G Biaggne Austin A Mass Olga A OA Knowlton William B WB Yurke Bernard B Li Lan L
International journal of molecular sciences 20230217 4
Dye molecules, arranged in an aggregate, can display excitonic delocalization. The use of DNA scaffolding to control aggregate configurations and delocalization is of research interest. Here, we applied Molecular Dynamics (MD) to gain an insight on how dye-DNA interactions affect excitonic coupling between two squaraine (SQ) dyes covalently attached to a DNA Holliday junction (HJ). We studied two types of dimer configurations, i.e., adjacent and transverse, which differed in points of dye covale ...[more]