Preparing Membrane Proteins for Simulation Using CHARMM-GUI.
Methods Mol Biol
; 2302: 237-251, 2021.
Article
em En
| MEDLINE
| ID: mdl-33877631
ABSTRACT
Molecular dynamics simulations of membrane proteins have grown dramatically in the last 20 years. Running these simulations first requires embedding the protein's three-dimensional structure in a lipid bilayer of a suitable composition, one that resembles its native environment. This step is far from trivial, especially for modeling heterogeneous mixtures of lipids. CHARMM-GUI, a webserver for simulation system preparation greatly simplifies this step, allowing for the construction of complex heterogeneous and/or asymmetric membranes. Here, we demonstrate how to use CHARMM-GUI to build the membrane for the outer-membrane protein BamA.
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Base de dados:
MEDLINE
Assunto principal:
Proteínas da Membrana Bacteriana Externa
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Biologia Computacional
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Proteínas de Escherichia coli
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Escherichia coli
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Bicamadas Lipídicas
Idioma:
En
Ano de publicação:
2021
Tipo de documento:
Article