Druggability Suite

Learn how to use Druggability Suite for setting up and analyzing druggability simulations.

You can also read this tutorial in PDF format.

Plug-in files: ZIP TGZ

Tutorial files: ZIP TGZ

• Introduction
  • Installation
  • DruGUI Plugin
  • Tutorial Files
  • How to Cite
• Background
  • Method & Theory
• Probe Molecules
  • Topology & Parameter
• Simulation Setup
  • Input Files
  • Options & Parameters
  • Output Files
  • Simulation
• Probe Grid Calculation
  • Input Files
  • Options & Parameters
  • Output Files
• Druggability Analysis
  • Input Files
  • Options & Parameters
  • Output Files
• Analyze a Specific Site
  • Input Files
  • Options & Parameters
  • Output Files
• Visualization & Analysis
  • Input Files
  • Options & Parameters
  • Probe binding spots
  • Druggable Sites
  • Visualize Probe Grids
• Incorporate CGenFF Molecules
• License