Energy Landscapes of Mini-Dumbbell DNA Octanucleotides.
Journal of chemical theory and computation
American Chemical Society (ACS)
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Klimavicz, J. S., Roeder, K., & Wales, D. (2018). Energy Landscapes of Mini-Dumbbell DNA Octanucleotides.. Journal of chemical theory and computation, 14 (7), 3870-3876. https://doi.org/10.1021/acs.jctc.8b00262
Single-stranded DNA structures play a signi cant role in biological systems, in par- ticular during replication, translation and DNA repair. Tracts of simple repetitive DNA are associated with slipped-strand mispairing, that can lead to genetic diseases. Recent NMR studies of TTTA and CCTG repeats have shown that these sequences form mini-dumbbells (MDBs), leading to frameshift mutations. Here we explore the energy landscapes of (CCTG)₂ and (TTTA)₂, which are currently the smallest known molecules to form MDBs. While (CCTG)₂ MDBs are stable, (TTTA)₂ exhibits nu- merous other structures with lower energies. A key factor identi ed in the stabilisation of MDB structures is the bonding strength between residues 1 and 4, and 5 and 8.
DNA, Oligonucleotides, Base Sequence, Nucleic Acid Conformation, Frameshift Mutation, Thermodynamics, Models, Molecular
PhD studentship EPSRC
External DOI: https://doi.org/10.1021/acs.jctc.8b00262
This record's URL: https://www.repository.cam.ac.uk/handle/1810/282766
Attribution 4.0 International
Licence URL: https://creativecommons.org/licenses/by/4.0/