The impact of monovalent ion force field model in nucleic acids simulations

Different classical models for monovalent ions (typically used to neutralize proteins or nucleic acids) are available in the literature and are widely used in molecular dynamics simulations without a great knowledge of their quality, consistency with the macromolecular force field and impact on the...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2009-01, Vol.11 (45), p.10596-10607
Hauptverfasser:	Noy, Agnes, Soteras, Ignacio, Luque, F Javier, Orozco, Modesto
Format:	Artikel
Sprache:	eng
Schlagworte:	DNA - chemistry Ions - chemistry Molecular Dynamics Simulation Nucleic Acid Conformation Potassium Chloride - chemistry Quantum Theory Sodium Chloride - chemistry Thermodynamics Water - chemistry
Online-Zugang:	Volltext
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