DoGSiteScorer

description

DoGSiteScorer is an automated pocket detection and analysis tool, which can be used for protein druggability assessment. Calculations are based on size, shape, and chemical features of automatically detected pockets. All these parameters are utilized in a support vector machine for druggability prediction.

advantages

  • excellent prediction rates on common benchmark sets
  • unique sub-pocket calculation
  • fully automated
  • customized script-interface for PyMol visualization

availability

We recommend you to read the original publication[1] and try out DoGSiteScorer for yourself. It is available only for Linux 64bit. The free download is available only for academic users. Any other interested users, please contact us.
Note that with the download you accept our terms and conditions*.

download DoGSiteScorer
* Terms and conditions:
DoGSiteScorer may be used free of charge for academic research and/or evaluation purposes. No support is granted any warranty or liability is hereby expressly excluded. You use DoGSiteScorer at your own risk!
Any publication in reference to DoGSiteScorer must cite the original publication[1].
Please provide us your feedback. Also, if you are interested in a longer-term use, please let us know.
References:
[1]A. Volkamer, D. Kuhn, T. Grombacher, F. Rippmann, and M. Rarey
Combining global and local measures for structure-based druggability predictions.
J. Chem. Inf. Model. 2012, 52 (2), pp 360-372
[2]A. Volkamer, A. Griewel, T. Grombacher, and M. Rarey
Analyzing the topology of active sites: on the prediction of pockets and subpockets.
J. Chem. Inf. Model., 2010, 50 (11), pp 2041-2052

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