Molecular Docking

Perform protein-ligand docking analysis with AI-powered insights

Protein Structure

Provide protein structure in PDB format

PDB Data

Ligand Information

Provide ligand structure as SMILES string

Ligand Name

SMILES String

Binding Site Configuration

Define the binding site coordinates and search space

Center X

Center Y

Center Z

Size X

Size Y

Size Z

Exhaustiveness

Higher values increase accuracy but take longer (1-32)