Bottom-up Coarse-Grained Models of Asymmetric Membranes.

ABSTRACT: Biological membranes are inherently asymmetric, consisting of various lipids and proteins that are heterogeneously distributed between membrane leaflets. The study of spatial heterogeneity in membrane bilayers is of fundamental importance in membrane biophysics. However, the accurate simulation of realistic membranes remains challenging. In all-atom (AA) modeling, the slow diffusion of lipids renders multicomponent bilayer simulations computationally demanding. In coarse-grained (CG) modeling, top-down models have been largely employed for the study of membranes; however, their implementation is not ideal due to the inaccuracies in modeling lipid-lipid and lipid-protein interactions from the point of view of statistical mechanics. In this study, we have constructed a "bottom-up" CG model o

SUBMITTER: Majumder A 

PROVIDER: S-EPMC12479098 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature