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A coarse-grained model for polyethylene oxide and polyethylene glycol: conformation and hydrodynamics
A coarse-grained (CG) model for polyethylene oxide (PEO) and polyethylene glycol (PEG) developed within the framework of the MARTINI CG force field (FF) using the distributions of bonds, angles, and dihedrals from the CHARMM all-atom FF is presented. Densities of neat low molecular weight PEO agree...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2937831/ https://ncbi.nlm.nih.gov/pubmed/19754083 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp9058966 |
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