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Molecular Dynamics Simulations of Membrane Permeability

This Review illustrates the evaluation of permeability of lipid membranes from molecular dynamics (MD) simulation primarily using water and oxygen as examples. Membrane entrance, translocation, and exit of these simple permeants (one hydrophilic and one hydrophobic) can be simulated by conventional...

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Dades bibliogràfiques
Publicat a:Chem Rev
Autors principals: Venable, Richard M., Krämer, Andreas, Pastor, Richard W.
Format: Artigo
Idioma:Inglês
Publicat: 2019
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6506413/
https://ncbi.nlm.nih.gov/pubmed/30747524
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.chemrev.8b00486
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