GalaxyDock

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.

GalaxyDock1

GalaxyDock2

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.

GalaxyDock2

References

  • W. 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. Shin and C. Seok*, GalaxyDock: Protein-ligand docking with flexible protein side-chains, J. Chem. Inf. Model, 52 (12), 3225-3232 (2012).
  • W. 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).