ligand_117_insr.pdbqt Results

DockMetrics

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

Advancing in Silico Drug Discovery Through An Enzyme Inhibition Efficiency and Selectivity Profiling System

Docking Analysis

Components

Receptors²

Ligands⁵⁸⁰

Dock Process

Docking Results²⁹⁶⁰

Dock Matrix

Overview

Research Paper Conceptual Framework Researchers

Republic of the Philippines
Department of Education
REGION III
SCHOOLS DIVISION OF CITY OF SAN JOSE DEL MONTE
CITY OF SAN JOSE DEL MONTE NATIONAL SCIENCE HIGH SCHOOL
ECOPARK, MUZON, CSJDM, BULACAN

Docking Result

ligand_117_insr

Atoms: 189
Models: 9
Best Energy: -6.825 kcal/mol

Binding Energies:

Pose 1: -6.825 kcal/mol
Pose 2: -6.813 kcal/mol
Pose 3: -6.775 kcal/mol
Pose 4: -6.772 kcal/mol
Pose 5: -6.441 kcal/mol
Pose 6: -6.441 kcal/mol
Pose 7: -6.44 kcal/mol
Pose 8: -6.336 kcal/mol
Pose 9: -6.256 kcal/mol

Select Pose:

Docking Result

ligand_117_insr

ligand_117_insr

Energy Plot

RMSD Scatter Plot