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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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Detalles Bibliográficos
Autores principales:	Paloncýová, Markéta, Berka, Karel, Otyepka, Michal
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2012
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3336936/ https://www.ncbi.nlm.nih.gov/pubmed/22545027 http://dx.doi.org/10.1021/ct2009208

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