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Convergence of Free Energy Profile of Coumarin in Lipid Bilayer

Atomistic molecular dynamics (MD) simulations of druglike molecules embedded in lipid bilayers are of considerable interest as models for drug penetration and positioning in biological membranes. Here we analyze partitioning of coumarin in dioleoylphosphatidylcholine (DOPC) bilayer, based on both mu...

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Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Paloncýová, Markéta, Berka, Karel, Otyepka, Michal
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Chemical Society 2012
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC3336936/
https://ncbi.nlm.nih.gov/pubmed/22545027
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct2009208
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