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Atomistic Molecular Dynamics Simulations of Propofol and Fentanyl in Phosphatidylcholine Lipid Bilayers

[Image: see text] Atomistic molecular dynamics (MD) and steered MD simulations in combination with umbrella sampling methodology were utilized to study the general anesthetic propofol and the opioid analgesic fentanyl and their interaction with lipid bilayers, which is not yet fully understood. Thes...

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Publicado en:ACS Omega
Main Authors: Faulkner, Christopher, Santos-Carballal, David, Plant, David F., de Leeuw, Nora H.
Formato: Artigo
Idioma:Inglês
Publicado: American Chemical Society 2020
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7315410/
https://ncbi.nlm.nih.gov/pubmed/32596571
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c00813
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