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FDS :Flexible Docking and Scoring

The flexible Docking and Scoring is an all-atom energy based Monte Carlo, flexible protein ligand docking, implemented in a fully automated, parallel processing mode which predicts the binding mode of the ligand in receptor target site. Click here to see the flowchart of Docking Methodology adopted. The structural input for the program is a candidate molecule and the Protein with a bound ligand when the binding site is known or a protein with a reference complexes generated by the AADS http://www.scfbio-iitd.res.in/dock/ActiveSite_new.jsp module of Sanjeevini when the binding site is unknown.

Docking
Complex(Protein along with Ligand)           


Candidate Molecule to dock           

  Formal Charge Charge Format
  
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