Computational Exploration of Mobile Ion Distributions around RNA Duplex

Atomically detailed distributions of ions around an A-form RNA are computed. Different mixtures of monovalent and divalent ions are considered explicitly. Studies of tightly bound and of diffusive (but bound) ions around 25 base pairs RNA are conducted in explicit solvent. Replica exchange simulatio...

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Veröffentlicht in:	The journal of physical chemistry. B 2010-06, Vol.114 (24), p.8207-8220
Hauptverfasser:	Kirmizialtin, Serdal, Elber, Ron
Format:	Artikel
Sprache:	eng
Schlagworte:	B: Biophysical Chemistry Base Pairing Binding Sites Crystallography, X-Ray Ions - chemistry Magnesium - chemistry Nucleic Acid Conformation Nucleotides - chemistry RNA, Double-Stranded - chemistry Sodium - chemistry
Online-Zugang:	Volltext
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