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Publication details
Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels
Authors | |
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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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