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.
|Number of pages||8|
|Journal||Proteins: Structure, Function and Genetics|
|State||Published - 1 Aug 2005|
- Flexible docking
- Symmetric docking
- Unbound docking