ligand_371_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_371_insr

Atoms: 434
Models: 7
Best Energy: -11.857 kcal/mol

Binding Energies:

Pose 1: -11.857 kcal/mol
Pose 2: -11.197 kcal/mol
Pose 3: -9.895 kcal/mol
Pose 4: -9.79 kcal/mol
Pose 5: -9.421 kcal/mol
Pose 6: -9.287 kcal/mol
Pose 7: -9.123 kcal/mol

Select Pose:

Docking Result

ligand_371_insr

ligand_371_insr

Energy Plot

RMSD Scatter Plot