Using RosettaLigand for small molecule docking into comparative models.

Computational small molecule docking into comparative models of proteins is widely used to query protein function and in the development of small molecule therapeutics. We benchmark RosettaLigand docking into comparative models for nine proteins built during CASP8 that contain ligands. We supplement...

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Bibliographic Details
Main Authors: Kristian W Kaufmann, Jens Meiler
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2012-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC3519832?pdf=render