Computational study of peptide permeation through membrane : Searching for hidden slow variables

Atomically detailed molecular dynamics trajectories in conjunction with Milestoning are used to analyze the different contributions of coarse variables to the permeation process of a small peptide (N-acetyl-L-tryptophanamide, NATA) through a 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) membrane....

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Publié dans:Molecular physics. - 1993. - 111(2013), 22-23 vom: 25. Nov., Seite 3565-3578
Auteur principal: Cardenas, Alfredo E (Auteur)
Autres auteurs: Elber, Ron
Format: Article
Langue:English
Publié: 2013
Accès à la collection:Molecular physics
Sujets:Journal Article Membrane simulations Milestoning Passive permeation hidden slow variables mean first passage time