|1OHR ligand & receptor (Protease inhibitor, drug, 12 DoFs)||ligand, receptor||results page|
|1SKJ ligand & receptor (SH2 domain inhibitor, peptidomimetic, 17 DoFs)||ligand, receptor||results page|
|4D0D ligand & receptor (MHC binder, peptide, 26 DoFs)||ligand, receptor||results page|
The grid box defines the volume that will be considered for ligand sampling; it should include the receptor's binding cleft and it should be large enough to acommodate the ligand. The grid box also defines which atoms of the receptor will be considered by the scoring function during the energy computation; the interaction energies will be pre-computed for a probe atom at the grid positions within this box. Therefore, the position and dimensions of the grid box depend on the specific receptor and on the orientation of the structure in the input file. To find appropriate values, the user will need to use a proper graphical interface such as autodocktools (ADT) or available plugins for popular visualization tools. Additional information and tools can be found in the links below.