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Computed free energies of peptide insertion into bilayers are independent of computational method

We show that the free energy of inserting hydrophobic peptides into lipid bilayer membranes from surface-aligned to transmembrane inserted states can be reliably calculated using atomistic models. We use two entirely different computational methods: high temperature spontaneous peptide insertion cal...

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Publicat a:J Membr Biol
Autors principals: Gumbart, James C., Ulmschneider, Martin B., Hazel, Anthony, White, Stephen H., Ulmschneider, Jakob P.
Format: Artigo
Idioma:Inglês
Publicat: 2018
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6030508/
https://ncbi.nlm.nih.gov/pubmed/29520628
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00232-018-0026-y
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