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Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association

[Image: see text] Potential of mean force (PMF) calculations are used to characterize the free energy landscape of protein–lipid and protein–protein association within membranes. Coarse-grained simulations allow binding free energies to be determined with reasonable statistical error. This accuracy...

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Detalles Bibliográficos
Autores principales:	Domański, Jan, Hedger, George, Best, Robert B., Stansfeld, Phillip J., Sansom, Mark S. P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2016
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5402295/ https://www.ncbi.nlm.nih.gov/pubmed/27807980 http://dx.doi.org/10.1021/acs.jpcb.6b08445

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