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Capturing Choline–Aromatics Cation−π Interactions in the MARTINI Force Field

[Image: see text] Cation−π interactions play an important role in biomolecular recognition, including interactions between membrane phosphatidylcholine lipids and aromatic amino acids of peripheral proteins. While molecular mechanics coarse grain (CG) force fields are particularly well suited to sim...

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Detalles Bibliográficos
Autores principales:	Khan, Hanif M., Souza, Paulo C. T., Thallmair, Sebastian, Barnoud, Jonathan, de Vries, Alex H., Marrink, Siewert J., Reuter, Nathalie
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7175457/ https://www.ncbi.nlm.nih.gov/pubmed/32096995 http://dx.doi.org/10.1021/acs.jctc.9b01194

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