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

Docking Result

CHEMBL236935_dpp4

Atoms: 333
Models: 9
Best Energy: -8.618 kcal/mol

Binding Energies:
  • Pose 1: -8.618 kcal/mol
  • Pose 2: -8.261 kcal/mol
  • Pose 3: -8.149 kcal/mol
  • Pose 4: -7.935 kcal/mol
  • Pose 5: -7.921 kcal/mol
  • Pose 6: -7.789 kcal/mol
  • Pose 7: -7.726 kcal/mol
  • Pose 8: -7.615 kcal/mol
  • Pose 9: -7.603 kcal/mol
CHEMBL236935_dpp4
Energy Plot
RMSD Scatter Plot