The ActiveSite option with FastDock automated docking enables scientists to dock rigid or flexible ligands into a protein with rigid or flexible sidechains. The ActiveSite module differs from competing docking packages that are constrained by molecular size and display speed, and which require the use of expensive UNIX workstations. Scigress Explorer software is currently the only desktop solution to offer such flexibility in configuration.
The ActiveSite option with FastDock automated ligand docking provides for rigid or flexible ligands to be docked into rigid proteins or proteins with flexible sidechains. With its Lamarckian genetic algorithm and enhanced potential of mean force (PMF) scoring function, this technique has been shown to achieve high-quality docking geometries with reliability over a range of examples.