6533b86ffe1ef96bd12cd1a6
RESEARCH PRODUCT
Molecular dynamics simulation of single DNA stretching reveals a novel structure
Jussi TimonenAatto LaaksonenRaimo A. Lohikoskisubject
Dna stretchingQuantitative Biology::BiomoleculesCrystallographyMolecular dynamicschemistry.chemical_compoundChemistryChemical physicsGeneral Physics and AstronomyTorsion (mechanics)Physical and Theoretical ChemistryTwistElongationDNAdescription
Abstract MD simulation, to closely mimic a torsionally unconstrained single-molecule stretching experiment of dsDNA, uncovers three distinct force regimes, characterized by fast and slow elongation regions with a transition regime in between, where the α and γ backbone torsion angles of the elongated double-stranded DNA find rapidly new stationary values. In the slow elongation regime DNA gradually looses its twist, collectively breaks all base-pair H-bonds and develops a remarkable base-stacked structure with the bases strongly tilted, forming a zipper-like stack on the major groove side, stabilized by the narrowing distance between the elongated strands, and by specific water interactions.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2005-05-01 | Chemical Physics Letters |