DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL96908_dpp4

Atoms: 198
Models: 9
Best Energy: -6.994 kcal/mol

Binding Energies:
  • Pose 1: -6.994 kcal/mol
  • Pose 2: -6.866 kcal/mol
  • Pose 3: -6.785 kcal/mol
  • Pose 4: -6.704 kcal/mol
  • Pose 5: -6.693 kcal/mol
  • Pose 6: -6.651 kcal/mol
  • Pose 7: -6.64 kcal/mol
  • Pose 8: -6.618 kcal/mol
  • Pose 9: -6.551 kcal/mol
CHEMBL96908_dpp4
Energy Plot
RMSD Scatter Plot