4.8 Article

Biocompatible Xanthine-Quadruplex Scaffold for Ion-Transporting DNA Channels

期刊

JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 3, 期 13, 页码 1788-1792

出版社

AMER CHEMICAL SOC
DOI: 10.1021/jz300559w

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资金

  1. project CEITEC - Central European Institute of Technology from the European Regional Development Fund [CZ.1.05/1.1.00/02.0068]
  2. MetaCentrum, Czech Republic [LM2010005]

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Molecular dynamics simulations and adaptive biasing force analysis of the quadniplex 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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