Protein-Ligand Docking
Molecular docking is a powerful technique to explore the potential receptor-ligand interactions. Our toolkit supports multiple types of molecular structure files, combined with high-precision algorithms, automatically completes docking analysis, provides detailed binding conformation and scoring results, and provides efficient and reliable molecular docking tools for researchers.
Receptor source
Upload receptor PDB file
Binding pocket centroid
The present ligand
Use a selector that matches the ligand residue name and chain in the receptor PDB, e.g. resname LIG and chainID A. The format A:LIG:999 is not supported.
Upload ligand MOL2 files
Keep the binding site water molecule(s)