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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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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5272901/ https://www.ncbi.nlm.nih.gov/pubmed/27543766 http://dx.doi.org/10.1016/j.compbiolchem.2016.06.007 |