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Automated Server for Protein Ligand Docking

ParDOCK is an all-atom energy based Monte Carlo,rigid protein ligand docking, implemented in a fully automated, parallel processing mode which predicts the binding mode of the ligand in receptor target site[1] Click here to see the flowchart of Docking Methodology adopted.

The structural input data for the ParDOCK are optimized reference complex i.e. protein bound with a ligand (Sample File) and a candidate ligand to be docked(Sample file). ParDOCK is tested on 226 protein-ligand complexes. Click here to access the 226 protein ligand dataset.

Click here to see 'How to Use Tool'.

Complex(Protein along with Ligand)           

Candidate Molecule to dock           

  Formal Charge Charge Format
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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.

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