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

Docking Result

CHEMBL3084946_dpp4

Atoms: 261
Models: 9
Best Energy: -7.634 kcal/mol

Binding Energies:
  • Pose 1: -7.634 kcal/mol
  • Pose 2: -7.355 kcal/mol
  • Pose 3: -7.316 kcal/mol
  • Pose 4: -7.316 kcal/mol
  • Pose 5: -7.258 kcal/mol
  • Pose 6: -7.257 kcal/mol
  • Pose 7: -7.104 kcal/mol
  • Pose 8: -6.992 kcal/mol
  • Pose 9: -6.949 kcal/mol
CHEMBL3084946_dpp4
Energy Plot
RMSD Scatter Plot