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From molecular dynamics to Brownian dynamics
Three coarse-grained molecular dynamics (MD) models are investigated with the aim of developing and analysing multi-scale methods which use MD simulations in parts of the computational domain and (less detailed) Brownian dynamics (BD) simulations in the remainder of the domain. The first MD model is...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society Publishing
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4032556/ https://www.ncbi.nlm.nih.gov/pubmed/25002825 http://dx.doi.org/10.1098/rspa.2014.0036 |