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Balancing the Interactions of Mg(2+) in Aqueous Solution and with Nucleic Acid Moieties For a Polarizable Force Field Based on the Classical Drude Oscillator Model

Mg(2+) ions are important in biological systems, particularly in stabilizing compact RNA folds. Mg(2+) is strongly polarizing, and representing its interactions in heterogeneous environments is a challenge for empirical force field development. To date, the most commonly used force fields in molecul...

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Veröffentlicht in:J Phys Chem B
Hauptverfasser: Lemkul, Justin A., MacKerell, Alexander D.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2016
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5148688/
https://ncbi.nlm.nih.gov/pubmed/27759379
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.6b09262
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