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Modelling of Binding Free Energy of Targeted Nanocarriers to Cell Surface
We have developed a numerical model based on Metropolis Monte Carlo (MC) and the weighted histogram analysis method (WHAM) that enables the calculation of the absolute binding free energy between functionalized nanocarriers (NC) and endothelial cell (EC) surfaces. The binding affinities are calculat...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2013
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4084679/ https://ncbi.nlm.nih.gov/pubmed/25013307 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00231-013-1274-0 |
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