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

Docking Result

CHEMBL366549_dpp4

Atoms: 207
Models: 9
Best Energy: -7.198 kcal/mol

Binding Energies:
  • Pose 1: -7.198 kcal/mol
  • Pose 2: -7.168 kcal/mol
  • Pose 3: -6.852 kcal/mol
  • Pose 4: -6.833 kcal/mol
  • Pose 5: -6.72 kcal/mol
  • Pose 6: -6.678 kcal/mol
  • Pose 7: -6.599 kcal/mol
  • Pose 8: -6.555 kcal/mol
  • Pose 9: -6.528 kcal/mol
CHEMBL366549_dpp4
Energy Plot
RMSD Scatter Plot