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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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Bibliografiske detaljer
Udgivet i:Chem Rev
Main Authors: Venable, Richard M., Krämer, Andreas, Pastor, Richard W.
Format: Artigo
Sprog:Inglês
Udgivet: 2019
Fag:
Online adgang: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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