The RosettaDock server for local protein–protein docking

S Lyskov, JJ Gray - Nucleic acids research, 2008 - academic.oup.com
S Lyskov, JJ Gray
Nucleic acids research, 2008academic.oup.com
Abstract The RosettaDock server (http://rosettadock. graylab. jhu. edu) identifies low-energy
conformations of a protein–protein interaction near a given starting configuration by
optimizing rigid-body orientation and side-chain conformations. The server requires two
protein structures as inputs and a starting location for the search. RosettaDock generates
1000 independent structures, and the server returns pictures, coordinate files and detailed
scoring information for the 10 top-scoring models. A plot of the total energy of each of the …
Abstract
The RosettaDock server ( http://rosettadock.graylab.jhu.edu ) identifies low-energy conformations of a protein–protein interaction near a given starting configuration by optimizing rigid-body orientation and side-chain conformations. The server requires two protein structures as inputs and a starting location for the search. RosettaDock generates 1000 independent structures, and the server returns pictures, coordinate files and detailed scoring information for the 10 top-scoring models. A plot of the total energy of each of the 1000 models created shows the presence or absence of an energetic binding funnel. RosettaDock has been validated on the docking benchmark set and through the Critical Assessment of PRedicted Interactions blind prediction challenge.
Oxford University Press