Figure 1

Example of one of the DockAnalyse graphical ouput windows of a certain docking assay. This is one of the most important output windows of DockAnalyse, which shows the clustering graph of all of the docking solutions tested. The axes are the two extracted components of the computed Principal Components Analysis (PCA). The clusters found by the program are depicted in different colors, and the representative points of each cluster are highlighted. This, and all of the other DockAnalyse output representations, allow for an easy and visual interpretation of the docking procedure.