| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T211 |
0-16 |
Sentence |
denotes |
2.5.3. iGEMDOCK |
| T212 |
17-242 |
Sentence |
denotes |
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). |
| T213 |
243-487 |
Sentence |
denotes |
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. |
| T214 |
488-639 |
Sentence |
denotes |
The parameters selected for GA were as follows: population size = 200, generations = 70, solution number = 2 and docking feature as 'standard docking'. |
| T215 |
640-801 |
Sentence |
denotes |
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. |
| T216 |
802-1003 |
Sentence |
denotes |
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. |
