ArgusLab

It is a molecular modeling, graphics, and drug design program.The ArgusDock docking engine, implemented in it, approximates an exhaustive search method, with similarities to DOCK and Glide. Flexible ligand docking is possible with ArgusLab, where the ligand is described as a torsion tree and grids are constructed that overlay the binding site. Ligand’s root node is placed on a search point in the binding site and a set of diverse and energetically favorable rotations is created.