Journal
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
Volume 60, Issue 2, Pages 224-231Publisher
WILEY
DOI: 10.1002/prot.20562
Keywords
CAPRI; unbound docking; flexible docking; symmetric docking; PatchDock; FlexDock; SymmDock
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Funding
- NCI NIH HHS [N01-CO-12400] Funding Source: Medline
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We present a set of geometric docking algorithms for rigid, flexible, and cyclic symmetry docking. The algorithms are highly efficient and have demonstrated very good performance in CAPRI Rounds 3-5. The flexible docking algorithm, FlexDock, is unique in its ability to handle any number of hinges in the flexible molecule, without degradation in run-time performance, as compared to rigid docking. The algorithm for reconstruction of cyclically symmetric complexes successfully assembles multimolecular complexes satisfying C. symmetry for any n in a matter of minutes on a desktop PC. Most of the algorithms presented here are available at the Tel Aviv University Structural Bioinformatics Web server (http://bioinfo3d.cs. tau.ac.il/). (c) 2005 Wiley-Liss, Inc.
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