Input of Docking Example

center_x
center_y
center_z
size_x
size_y
size_z
Protein (pdb format) 　
Ligand (mol2 format) 　

center_x (X coordinate of the center) : 16.2217

center_x (Y coordinate of the center) : -2.9947

center_x (Z coordinate of the center) : 3.4417

size_x (size in the X dimension) : 12

size_y (size in the Y dimension) : 12

size_z (size in the Z dimension) : 12

Protein: (PDB id) 3LBJ.pdb

Ligand: 3LBJ_ligand.mol2


Input of Re-docking Example

Protein (pdb format) 　
Ligand (mol2 format) 　

Protein: (PDB id) 4HG7.pdb

Ligand: Nutlin3.mol2



Example:  Input    Result of Docking    Result of Re-docking