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Structural Effects and Translocation of Doxorubicin in a DPPC/Chol Bilayer: The Role of Cholesterol

We use molecular dynamics simulations to characterize the influence of cholesterol (Chol) on the interaction between the anticancer drug doxorubicin (DOX) and a dipalmitoyl phosphatidylcholine/Chol lipid bilayer. We calculate the potential of mean force, which gives us an estimate of the free energy...

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書目詳細資料
Main Authors: Yacoub, Tyrone J., Reddy, Allam S., Szleifer, Igal
格式: Artigo
語言:Inglês
出版: The Biophysical Society 2011
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC3136772/
https://ncbi.nlm.nih.gov/pubmed/21767490
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2011.06.015
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