Interfacing molecular dynamics and macro-scale simulations for lipid bilayer vesicles.

A continuum-level model for a giant unilamellar vesicle (GUV) is bridged to a corresponding atomistic model of a dimyristoylphosphatidylcholine (DMPC) bilayer at various cholesterol concentrations via computation of the bulk modulus. The bulk modulus and other microscopically determined parameters a...

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Bibliographic Details
Main Authors: Ayton, Gary, Smondyrev, Alexander M, Bardenhagen, Scott G, McMurtry, Patrick, Voth, Gregory A
Format: Artigo
Language:Inglês
Published: 2002
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC1302206/
https://ncbi.nlm.nih.gov/pubmed/12124284
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