Structure-based Drug Design by Fragment Replacement



No molecule information will be retained on the system.

Step 1: Please choose a protein and a ligand file

Please choose a Protein file :
(mol2 or pdb format)
Please choose a Ligand file :
(mol2 or pdb format)

How to prepare the input files ?
You can prepare the input files by splitting an X-ray cocrystal structure of a protein-ligand complex. Or you can prepare the input files from molecular docking.

Step 2: Please click the following button to upload files