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

Docking Result

CHEMBL230282_dpp4

Atoms: 279
Models: 9
Best Energy: -5.9 kcal/mol

Binding Energies:
  • Pose 1: -5.9 kcal/mol
  • Pose 2: -5.778 kcal/mol
  • Pose 3: -5.608 kcal/mol
  • Pose 4: -5.576 kcal/mol
  • Pose 5: -5.544 kcal/mol
  • Pose 6: -5.445 kcal/mol
  • Pose 7: -5.409 kcal/mol
  • Pose 8: -5.378 kcal/mol
  • Pose 9: -5.26 kcal/mol
CHEMBL230282_dpp4
Energy Plot
RMSD Scatter Plot