Molecular Docking Service

Upload a protein and a ligand to perform molecular docking.

Note: The ligand should be a small molecule with no more than 100 atoms.

Adjust the docking center by entering coordinates or specifying pocket residue numbers.

Protein file (PDB format)

Ligand file (PDB format)

Center x coordinate:

Center y coordinate:

Center z coordinate:

Box size (x):

Box size (y):

Box size (z):

Amino acid numbers for center (comma-separated, will override the previous set center coordinates):