Journal
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
Volume 1858, Issue 7, Pages 1753-1759Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.bbamem.2016.01.020
Keywords
Outer membrane; Outer membrane protein; Lipopolysaccharide; Molecular dynamics; Simulation
Categories
Funding
- National Science Foundation [MCB-1452464]
- NSF [OCI-1053575]
- Direct For Mathematical & Physical Scien
- Division Of Physics [1205878] Funding Source: National Science Foundation
- Div Of Molecular and Cellular Bioscience
- Direct For Biological Sciences [1452464] Funding Source: National Science Foundation
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Gram-negative bacteria are distinguished in part by a second, outer membrane surrounding them. This membrane is distinct from others, possessing an outer leaflet composed not of typical phospholipids but rather large, highly charged molecules known as lipopolysaccharides. Therefore, modeling the structure and dynamics of proteins embedded in the outer membrane requires careful consideration of their native environment. In this review, we examine how simulations of such outer-membrane proteins have evolved over the last two decades, culminating most recently in detailed, highly accurate atomistic models of the outer membrane. We also draw attention to how the simulations have coupled with experiments to produce novel insights unattainable through a single approach. This article is part of a Special Issue entitled: Membrane Proteins edited by J.C. Gumbart and Sergei Noskov. (C) 2016 Elsevier B.V. All rights reserved.
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