FTDock 2.0/ RPScore /MultiDock 1.0
FTDock ( Fourier Transform Dock ) performs rigid-body docking on two biomolecules in order to predict their correct binding geometry. FTDock outputs multiple predictions that can be screened using biochemical information.
RPScore ( Residue level Pair potential Score ) uses a single distance constraint empiricaly derived pair potential to screen the ouptut from FTDock. It has been shown that this can reduce dramatically the list of possible complexes within which can be found a correct solution.
MultiDock (Multiple copy side-chain refinement Dock ) was developed to provide a method for refining the interface between two proteins at the atomic level given an initial docked complex generated by a docking algorithm or manual docking procedure. The motivation for this work was to provide a rapid energy refinement protocol for the large number of putative docked complexes produced by rigid-body docking programs such as FTDock or DOCK. The program models the effects of side-chain conformational change and the rigid-body movement of the interacting proteins during refinement.
Structural Bioinformatics Group – Imperial college London
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