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Two Relations to Estimate Membrane Permeability Using Milestoning

[Image: see text] Prediction of passive permeation rates of solutes across lipid bilayers is important to drug design, toxicology, and other biological processes such as signaling. The inhomogeneous solubility-diffusion (ISD) equation is traditionally used to relate the position-dependent potential...

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Detalles Bibliográficos
Autores principales: Votapka, Lane W., Lee, Christopher T., Amaro, Rommie E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5002937/
https://www.ncbi.nlm.nih.gov/pubmed/27154639
http://dx.doi.org/10.1021/acs.jpcb.6b02814