Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels
| Authors | |
|---|---|
| Year of publication | 2012 |
| Type | Article in Periodical |
| Magazine / Source | The Journal of Physical Chemistry Letters |
| MU Faculty or unit | |
| 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. |
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