Capturing Biologically Complex Tissue-Specific Membranes at Different Levels of Compositional Complexity.

ABSTRACT: Plasma membranes (PMs) contain hundreds of different lipid species that contribute differently to overall bilayer properties. By modulation of these properties, membrane protein function can be affected. Furthermore, inhomogeneous lipid mixing and domains of lipid enrichment/depletion can sort proteins and provide optimal local environments. Recent coarse-grained (CG) Martini molecular dynamics efforts have provided glimpses into lipid organization of different PMs: an "Average" and a "Brain" PM. Their high complexity and large size require long simulations (∼80 μs) for proper sampling. Thus, these simulations are computationally taxing. This level of complexity is beyond the possibilities of all-atom simulations, raising the question-what complexity is needed for "realistic" bilayer prope

SUBMITTER: Ingolfsson HI 

PROVIDER: S-EPMC7553384 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature