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

Docking Result

CHEMBL329282_dpp4

Atoms: 234
Models: 9
Best Energy: -7.215 kcal/mol

Binding Energies:
  • Pose 1: -7.215 kcal/mol
  • Pose 2: -7.214 kcal/mol
  • Pose 3: -7.115 kcal/mol
  • Pose 4: -7.019 kcal/mol
  • Pose 5: -6.993 kcal/mol
  • Pose 6: -6.903 kcal/mol
  • Pose 7: -6.811 kcal/mol
  • Pose 8: -6.705 kcal/mol
  • Pose 9: -6.644 kcal/mol
CHEMBL329282_dpp4
Energy Plot
RMSD Scatter Plot