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Molecular Insights into the Membrane Affinities of Model Hydrophobes

[Image: see text] Membrane-active antibiotics are of great interest in fighting bacterial resistance. α-Mangostin is a membrane-active molecule, but there are no details of its mechanism of action at the atomistic level. We have employed free-energy simulations and microsecond-long conventional mole...

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Pubblicato in:ACS Omega
Autori principali: Li, Jianguo, Beuerman, Roger W., Verma, Chandra S.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2018
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6044992/
https://ncbi.nlm.nih.gov/pubmed/30023836
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.7b01759
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