Abstract
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 n symmetry for any n in a matter of minutes on a desktop PC.
Original language | English |
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Pages (from-to) | 224-231 |
Number of pages | 8 |
Journal | Proteins: Structure, Function and Genetics |
Volume | 60 |
Issue number | 2 |
DOIs | |
State | Published - 1 Aug 2005 |
Externally published | Yes |
Keywords
- CAPRI
- FlexDock
- Flexible docking
- Patchdock
- SymmDock
- Symmetric docking
- Unbound docking