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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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| Main Authors: | , , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical
Society
2014
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| Online adgang: | 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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