Multiscale investigation of lipid-protein interactions

University Of Utah, Salt Lake City UT

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Abstract

[unreadable] DESCRIPTION (provided by applicant): A multiscale methodology investigates the effect of membrane proteins on lipid structure and dynamics in cell membranes. The proposed strategy explores both the formation of generalised lipid microdomains and the communication between membrane proteins mediated by these lipid microdomains. Atomically detailed molecular dynamics (MD) simulations model protein-lipid interactions and quantify the local order of the boundary lipids within the immediate solvation shell of the protein. A coarse-grained model examines the long-time dynamics of these boundary lipids and their exchange with lipids outside of the protein solvation shell. A time-dependent field theory couples the local perturbation induced by the protein and this exchange process is coupled with mesoscopic membrane dynamics and the emergent development of long range correlations in the lipid structure. [unreadable] [unreadable]