ligand_504_igfr1.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_504_igfr1

Atoms: 504
Models: 9
Best Energy: -7.957 kcal/mol

Binding Energies:

Pose 1: -7.957 kcal/mol
Pose 2: -7.849 kcal/mol
Pose 3: -7.849 kcal/mol
Pose 4: -7.569 kcal/mol
Pose 5: -7.565 kcal/mol
Pose 6: -7.487 kcal/mol
Pose 7: -7.47 kcal/mol
Pose 8: -7.429 kcal/mol
Pose 9: -7.369 kcal/mol

Select Pose:

Docking Result

ligand_504_igfr1

ligand_504_igfr1

Energy Plot

RMSD Scatter Plot