Tutorials

• 1) B.E Prediction of Protein-Ligand Server(BAPPL) computes the binding free energy of a protein-ligand complex

• 2) B.E Prediction of Protein-Ligand Zinc Server (BAPPL-Z)computes the binding free energy of a metalloprotein-ligand complex containing zinc

• 3) Drug-DNA Interaction Energy(PreDDICTA)Computes Binding free energy of a DNA-Ligand complex

• 4) ParDOCKPredicts the binding pose and binding free energy of a ligand in a receptor

• 5) Active Site Active Site Prediction computes the cavities in a given protein.

• 6) Automated Version Of Active Site Prediction(AADS) Predicts top 10 Active sites of a protein and performs docking using ParDOCK on top 10 predicted sites

• 7) Non Redundant Database of Small Molecules Database of Small molecules

• 8) Lipinski FiltersTool to predict Lipinski's druf like parameters for a ligand

• 9) Molecular Volume CalculatorCalculates the volume of a ligand in Angstrom cube

• 10) DNA Sequence to Structure Converts DNA sequence to 3 D structure

• 11) DNA Ligand DockingPredicts The binding pose and binding free energy of a ligand in a DNA groove

• 12) Wiener Index Calculator Calculates Wiener index of a ligand molecule

• 13) RASPD for Preliminary Screening of DrugsTool for prelimanary screening of Ligand molecules based on Physico-chemical proterties of Ligand and protein active site.

• 14) Transferrable Partial Atomic Charge Model (TPACM4)Tool for assignment of partial atomic charge of small molecules

• 15) SOM PredictionPredicts The binding pose and binding free energy of a ligand and CYP proteins

• 16) Intercalate Predicts The binding pose and binding free energy of a intercalating ligand and DNA

• 17) Prepare Protein Prepares proteins for sanjeevini modules

• 18) Prepare Ligand Prepares ligands for sanjeevini modules