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Computational model for nanocarrier binding to endothelium validated using in vivo, in vitro, and atomic force microscopy experiments

A computational methodology based on Metropolis Monte Carlo (MC) and the weighted histogram analysis method (WHAM) has been developed to calculate the absolute binding free energy between functionalized nanocarriers (NC) and endothelial cell (EC) surfaces. The calculated NC binding free energy lands...

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Detalhes bibliográficos
Main Authors: Liu, Jin, Weller, Gregory E. R., Zern, Blaine, Ayyaswamy, Portonovo S., Eckmann, David M., Muzykantov, Vladimir R., Radhakrishnan, Ravi
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2010
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2944711/
https://ncbi.nlm.nih.gov/pubmed/20823256
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1006611107
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