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Multiscale approach for the construction of equilibrated all-atom models of a poly(ethylene glycol)-based hydrogel

A multiscale modeling approach is presented for the efficient construction of an equilibrated all-atom model of a cross-linked poly(ethylene glycol) (PEG)-based hydrogel using the all-atom polymer consistent force field (PCFF). The final equilibrated all-atom model was built with a systematic simula...

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Pubblicato in:Biointerphases
Autori principali: Li, Xianfeng, Murthy, N. Sanjeeva, Becker, Matthew L., Latour, Robert A.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Vacuum Society 2016
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4808066/
https://ncbi.nlm.nih.gov/pubmed/27013229
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1116/1.4944829
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