Tutorials

These tutorials illustrate how to use specific floes and understand their results.

• Preparing Input
• Basic Tutorial: Automated Cryptic Pocket Detection with Probe Occupancy Analysis

• Advanced Tutorials
  • Solvate and Equilibrate Target Protein
  • Calculate Normal Modes
  • Run a Weighted Ensemble MD Simulation
  • Perform Weighted Ensemble MD Analysis
  • Probe Occupancy Analysis
  • Dynamic Probe Analysis
  • Combined Probe Binding Site Analysis
  • Exposon Analysis
  • Ligandable Medoids Extraction
  • Pocket Ranking by Ligandability Score

• Frequently asked questions