Probabilistic prediction of contacts in protein-ligand complexes.

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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Bibliographic Details
Main Authors: Riku Hakulinen, Santeri Puranen, Jukka V Lehtonen, Mark S Johnson, Jukka Corander
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2012-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC3498326?pdf=render

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