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Steric exclusion and constraint satisfaction in multi-scale coarse-grained simulations
An algorithm is described for the interaction of a hierarchy of objects that seeks to circumvent a fundamental problem in coarse-grained modelling which is the loss of fine detail when components become bundled together. A “currants-in-jelly” model is developed that provides a flexible approach in w...
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| Publicado no: | Comput Biol Chem |
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| Autor principal: | |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5272901/ https://ncbi.nlm.nih.gov/pubmed/27543766 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.compbiolchem.2016.06.007 |
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