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| ViewDock Interface (large image) |
The program DOCK (Kuntz group, UCSF) is typically used to search a database for compounds that may bind to a target protein structure. The Chimera tool ViewDock facilitates interactive screening of hits output from DOCK. The ViewDock interface (above, right) lists the docked molecules, and clicking on a line displays that molecule in the graphics window and shows information such as scores in the lower panel. The target structure in this example is H-Ras (PDB entry 121p), which is often mutated in malignant tumors in humans. The docked molecule is ribose monophosphate. Carbons are gray, oxygens are red, nitrogens are blue, and phosphorus is cyan. Hydrogens are not shown. Potential hydrogen bonds are shown as dashed yellow lines between donor and acceptor.
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