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Probabilistic Prediction of Contacts in Protein-Ligand Complexes

We introduce a statistical method for evaluating atomic level 3D interaction patterns of protein-ligand contacts. Such patterns can be used for fast separation of likely ligand and ligand binding site combinations out of all those that are geometrically possible. The practical purpose of this probab...

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Detalles Bibliográficos
Autores principales:	Hakulinen, Riku, Puranen, Santeri, Lehtonen, Jukka V., Johnson, Mark S., Corander, Jukka
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2012
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3498326/ https://www.ncbi.nlm.nih.gov/pubmed/23155467 http://dx.doi.org/10.1371/journal.pone.0049216

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