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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Detalhes bibliográficos
Main Authors: Riku Hakulinen, Santeri Puranen, Jukka V Lehtonen, Mark S Johnson, Jukka Corander
Formato: Artigo
Idioma:English
Publicado em: Public Library of Science (PLoS) 2012-01-01
Colecção:PLoS ONE
Acesso em linha:http://europepmc.org/articles/PMC3498326?pdf=render