Authors
Efrat Mashiach, Dina Schneidman‐Duhovny, Aviyah Peri, Yoli Shavit, Ruth Nussinov, Haim J Wolfson
Publication date
2010/11/15
Journal
Proteins: Structure, Function, and Bioinformatics
Volume
78
Issue
15
Pages
3197-3204
Publisher
Wiley Subscription Services, Inc., A Wiley Company
Description
The CAPRI experiment (Critical Assessment of Predicted Interactions) simulates realistic and diverse docking challenges, each case having specific properties that may be exploited by docking algorithms. Motivated by the different CAPRI challenges, we developed and implemented a comprehensive suite of docking algorithms. These were incorporated into a dynamic docking protocol, consisting of four main stages: (1) Biological and bioinformatics research aiming to predict the binding site residues, to define distance constraints between interface atoms and to analyze the flexibility of molecules; (2) Rigid or flexible docking, performed by the PatchDock or FlexDock method, which utilizes the information gathered in the previous step. Symmetric complexes are predicted by the SymmDock method; (3) Flexible refinement and reranking of the rigid docking solution candidates, performed by FiberDock; and finally, (4 …
Total citations
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Scholar articles
E Mashiach, D Schneidman‐Duhovny, A Peri, Y Shavit… - Proteins: Structure, Function, and Bioinformatics, 2010