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Simulation-based cheminformatic analysis of organelle-targeted molecules: lysosomotropic monobasic amines

Cell-based molecular transport simulations are being developed to facilitate exploratory cheminformatic analysis of virtual libraries of small drug-like molecules. For this purpose, mathematical models of single cells are built from equations capturing the transport of small molecules across membran...

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Autores principales: Zhang, Xinyuan, Zheng, Nan, Rosania, Gus R.
Formato: Artigo
Lenguaje:Inglês
Publicado: Springer Netherlands 2008
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC2516532/
https://ncbi.nlm.nih.gov/pubmed/18338229
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-008-9194-7
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