Native-like membrane models of E. coli polar lipid extract shed light on the importance of lipid composition complexity.

ABSTRACT:

Background

Lipid-protein interactions stabilize protein oligomers, shape their structure, and modulate their function. Whereas in vitro experiments already account for the functional importance of lipids by using natural lipid extracts, in silico methods lack behind by embedding proteins in single component lipid bilayers. However, to accurately complement in vitro experiments with molecular details at very high spatio-temporal resolution, molecular dynamics simulations have to be performed in natural(-like) lipid environments.

Results

To enable more accurate MD simulations, we have prepared four membrane models of E. coli polar lipid extract, a typical model organism, each at all-atom (CHARMM36) and coarse-grained (Martini3) representations. These models contain all main li

SUBMITTER: Pluhackova K 

PROVIDER: S-EPMC7807449 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature