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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...
Gorde:
| Egile Nagusiak: | , |
|---|---|
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
American Chemical
Society
2014
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| Sarrera elektronikoa: | 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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