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Molecular Dynamics Simulations of Double-Stranded DNA in an Explicit Solvent Model with the Zero-Dipole Summation Method

Molecular dynamics (MD) simulations of a double-stranded DNA with explicit water and small ions were performed with the zero-dipole summation (ZD) method, which was recently developed as one of the non-Ewald methods. Double-stranded DNA is highly charged and polar, with phosphate groups in its backb...

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Detalhes bibliográficos
Main Authors: Arakawa, Takamasa, Kamiya, Narutoshi, Nakamura, Haruki, Fukuda, Ikuo
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3790736/
https://ncbi.nlm.nih.gov/pubmed/24124577
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0076606
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