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...

Descripción completa

Detalles Bibliográficos
Autores principales: Hu, Yuan, Sinha, Sudipta Kumar, Patel, Sandeep
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4199542/
https://www.ncbi.nlm.nih.gov/pubmed/25290376
http://dx.doi.org/10.1021/jp504853t

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4199542/
https://www.ncbi.nlm.nih.gov/pubmed/25290376
http://dx.doi.org/10.1021/jp504853t

Ejemplares similares