CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides

A complex cell envelope, composed of a mixture of lipid types including lipopolysaccharides, protects bacteria from the external environment. Clearly, the proteins embedded within the various components of the cell envelope have an intricate relationship with their local environment. Therefore, to o...

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Bibliographic Details
Published in:Journal of computational chemistry 2017-10, Vol.38 (27), p.2354-2363
Main Authors: Hsu, Pin‐Chia, Bruininks, Bart M. H., Jefferies, Damien, Cesar Telles de Souza, Paulo, Lee, Jumin, Patel, Dhilon S., Marrink, Siewert J., Qi, Yifei, Khalid, Syma, Im, Wonpil
Format: Article
Language:English
Subjects:
Bacteria
Bacteria - chemistry
Bacterial Outer Membrane Proteins - chemistry
bilayers
Cell Membrane - chemistry
coarse‐grained simulation
Computer simulation
Graphical user interface
Lipid Bilayers - chemistry
Lipids
Lipopolysaccharides - chemistry
Membranes
Micelles
Models, Chemical
Molecular chemistry
Molecular Dynamics Simulation
nanodiscs
outer membrane vesicles
Phospholipids - chemistry
Proteins
Software Design
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