2.5.3.  iGEMDOCK
Institute of Bioinformatics in Taiwan's National Chiao Tung University developed iGEMDOCK version 2.1, a graphical, user-friendly and automated software for integrated docking, screening and post-analysis (Yang & Chen, 2004). Binding sites for a particular ligand were established with the help of the software. iGEMDOCK employs a generic evolutionary method (GA) in order to calculate ligand conformation and orientation with respect to the target protein binding site. The parameters selected for GA were as follows: population size = 200, generations = 70, solution number = 2 and docking feature as 'standard docking'. Once a set of poses is generated, the software recalculates the energy of each pose and the interaction data represents the individual as well as overall energy. Best fit is selected, representing the total energy viz. vdW (van der Waals energy), H-bond (hydrogen bonding energy) and Elect (electrostatic energy) of the predicted pose at the protein binding site.