Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels
Status PubMed-not-MEDLINE Language English Country United States Media print-electronic
Document type Journal Article
PubMed
26291860
DOI
10.1021/jz300559w
Knihovny.cz E-resources
- Keywords
- adaptive biasing force, free-energy, guanine, ion transport, molecular dynamics,
- Publication type
- Journal Article MeSH
Molecular dynamics simulations and adaptive biasing force analysis of the quadruplex DNA dynamics in an explicit solvent reveal fundamentally different mechanisms of Na(+) transport in xanthine- and guanine-based DNA systems. The barrier to the transport of K(+) through the xanthine-based quadruplex is significantly lower than those reported for the guanine-based analogs.
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