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Balancing the Interactions of Ions, Water, and DNA in the Drude Polarizable Force Field
[Image: see text] Recently we presented a first-generation all-atom Drude polarizable force field for DNA based on the classical Drude oscillator model, focusing on optimization of key dihedral angles followed by extensive validation of the force field parameters. Presently, we describe the procedur...
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| Principais autores: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4064693/ https://ncbi.nlm.nih.gov/pubmed/24874104 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp503469s |
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