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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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Bibliografiske detaljer
Udgivet i:ACS Omega
Main Authors: Faulkner, Christopher, Santos-Carballal, David, Plant, David F., de Leeuw, Nora H.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2020
Online adgang: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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