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Docking
Complex(Protein along with Ligand)
sample file
Candidate Molecule to dock
sample file

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AM1BCC    Gasteiger
500    2500    200
All Atom    Active Site
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[1] Gupta, A. Gandhimathi, A. Sharma, P. and Jayaram, B. (2007) ParDOCK: An All Atom Energy Based Monte Carlo Docking Protocol for Protein-Ligand Complexes. Protein and Peptide Letters, 2007, 14, 7, 632-646.