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用于本地蛋白质-蛋白质对接的RosettaDock服务器。

The RosettaDock server for local protein-protein docking.

作者信息

Lyskov Sergey, Gray Jeffrey J

机构信息

Department of Chemical and Biomolecular Engineering and Program in Molecular and Computational Biophysics, Johns Hopkins University, 3400 N. Charles Street, Baltimore, MD 21218, USA.

出版信息

Nucleic Acids Res. 2008 Jul 1;36(Web Server issue):W233-8. doi: 10.1093/nar/gkn216. Epub 2008 Apr 28.

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.

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2695/2447798/20f93af441e9/gkn216f1.jpg

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