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Competition among Li(+), Na(+), K(+) and Rb(+) Monovalent Ions for DNA in Molecular Dynamics Simulations using the Additive CHARMM36 and Drude Polarizable Force Fields

In the present study we report on interactions of and competition between monovalent ions for two DNA sequences in MD simulations. Efforts included the development and validation of parameters for interactions among the first-group monovalent cations, Li(+), Na(+), K(+) and Rb(+), and DNA in the Dru...

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Bibliografiske detaljer
Udgivet i:J Phys Chem B
Main Authors: Savelyev, Alexey, MacKerell, Alexander D.
Format: Artigo
Sprog:Inglês
Udgivet: 2015
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4378841/
https://ncbi.nlm.nih.gov/pubmed/25751286
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.5b00683
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