Javier L. Baylon, Josh V. Vermaas, Melanie P. Muller, Mark J. Arcario, Taras V.
Pogorelov, and Emad Tajkhorshid.
Atomic-level description of protein-lipid interactions using an
accelerated membrane model.
Biochimica et Biophysica Acta - Biomembranes, 1858:1573-1583,
2016.
(PMC: PMC4877275)
BAYL2016-ET
Peripheral membrane proteins are structurally diverse proteins that are
involved in fundamental cellular processes. Their activity of these proteins is
frequently modulated through their interaction with cellular membranes, and
as a result techniques to study the interfacial interaction between peripheral
proteins and the membrane are in high demand. Due to the fluid nature of the
membrane and the reversibility of protein–membrane interactions, the
experimental study of these systems remains a challenging task. Molecular
dynamics simulations offer a suitable approach to study protein–lipid
interactions; however, the slow dynamics of the lipids often prevents sufficient
sampling of specific membrane–protein interactions in atomistic simulations.
To increase lipid dynamics while preserving the atomistic detail of protein–lipid
interactions, in the highly mobile membrane-mimetic (HMMM) model the
membrane core is replaced by an organic solvent, while short-tailed lipids
provide a nearly complete representation of natural lipids at the organic
solvent/water interface. Here, we present a brief introduction and a summary
of recent applications of the HMMM to study different membrane proteins,
complementing the experimental characterization of the presented systems,
and we offer a perspective of future applications of the HMMM to study other
classes of membrane proteins.
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