Publication details

Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels

Investor logo
Authors

NOVOTNÝ Jan KULHÁNEK Petr MAREK Radek

Year of publication 2012
Type Article in Periodical
Magazine / Source The Journal of Physical Chemistry Letters
MU Faculty or unit

Central European Institute of Technology

Citation
Web DOI: 10.1021/jz300559w
Doi http://dx.doi.org/10.1021/jz300559w
Field Physical chemistry and theoretical chemistry
Keywords molecular dynamics; guanine; adaptive biasing force; ion transport; free-energy
Attached files
Description 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.
Related projects:

You are running an old browser version. We recommend updating your browser to its latest version.

More info