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Reconciling Structural and Thermodynamic Predictions Using All-Atom and Coarse-Grain Force Fields: The Case of Charged Oligo-Arginine Translocation into DMPC Bilayers

[Image: see text] Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simul...

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מידע ביבליוגרפי
Main Authors: Hu, Yuan, Sinha, Sudipta Kumar, Patel, Sandeep
פורמט: Artigo
שפה:Inglês
יצא לאור: American Chemical Society 2014
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC4199542/
https://ncbi.nlm.nih.gov/pubmed/25290376
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp504853t
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