A molecular level picture of the stabilization of A-DNA in mixed ethanol-water solutions.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 9275173.
- Also identified by PMC identifier 23237.
- No licence information is recorded for this record.
- Because redistribution is not established, this page shows the abstract only. Follow the links below for the full text.
Abstract
Advances in computer power, methodology, and empirical force fields now allow routine "stable" nanosecond-length molecular dynamics simulations of DNA in water. The accurate representation of environmental influences on structure remains a major, unresolved issue. In contrast to simulations of A-DNA in water (where an A-DNA to B-DNA transition is observed) and in pure ethanol (where disruption of the structure is observed), A-DNA in approximately 85% ethanol solution remains in a canonical A-DNA geometry as expected. The stabilization of A-DNA by ethanol is likely due to disruption of the spine of hydration in the minor groove and the presence of ion-mediated interhelical bonds and extensive hydration across the major groove.
Medical subject headings
- Computer Simulation
- DNA
- Models, Molecular
- Nucleic Acid Conformation