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A Sidekick for Membrane Simulations: Automated Ensemble Molecular Dynamics Simulations of Transmembrane Helices

The interactions of transmembrane (TM) α-helices with the phospholipid membrane and with one another are central to understanding the structure and stability of integral membrane proteins. These interactions may be analysed via coarse-grained molecular dynamics (CGMD) simulations. To obtain statisti...

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Detalles Bibliográficos
Publicado en:J Chem Theory Comput
Main Authors: Hall, Benjamin A, Halim, Khairul Abd, Buyan, Amanda, Emmanouil, Beatrice, Sansom, Mark S P
Formato: Artigo
Idioma:Inglês
Publicado: 2014
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4871227/
https://ncbi.nlm.nih.gov/pubmed/26580541
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500003g
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