GalaxyDock is a protein-ligand docking program that allows flexibility of pre-selected side-chains of ligand using Conformational Space Annealing.
Binary executible files (can be run linux and MACOSX system) and examples can be freely downloaded at the following link.
GalaxyDock2 is released!!!
GalaxyDock2 provides more efficient method to make initial population and more accurate binding affinity prediction than GalaxyDock1.
GalaxyDock2 can be only run on linux.
GalaxyDock BP2 Score (latest)
GalaxyDock2 with new scoring function (GalaxyDock BP2 Score) is released!!!
Performance of GalaxyDock2 is improved by using hybrid docking scoring function.
GalaxyDock2 with BP2 Score can be only run on linux.
You can download the lists of PDB ID used in training set 1, training set 2, and test set.
You can also download the decoy binding poses of test set.
List of training set 1
List of training set 2
List of test set
Decoy binding poses
W.-H. Shin, L. Heo, J. Lee, J. Ko, C. Seok*, and J. Lee*, LigDockCSA: protein-ligand docking using conformational space annealing, J. Comput. Chem. 32 (15), 3226-3232, (2011).
W.-H. Shin and C. Seok*, GalaxyDock: Protein-ligand docking with flexible protein side-chains, J. Chem. Inf. Model, 52 (12), 3225-3232 (2012).
W.-H. Shin, J. Kim, D. Kim*, and C. Seok*, GalaxyDock2: Protein-Ligand Docking using Beta-Complex and Global
Optimization, J. Comput. Chem. 34 (30) 2647-2656 (2013).
M. Baek, W.-H. Shin, H. W. Chung, and C. Seok*, GalaxyDock BP2 Score: A Hybrid Scoring Function for Accurate
Protein-Ligand Docking, J. Comput. Aid. Mol. Design, 31 (7), 653-666 (2017).