PIA

PIA extracts protein-ligand interactions and their frequencies to score and predict the activity of a complex.

Structure of SEH

PIA - short for Protein Interaction Analyzer - is a tool for automatic identification of important interactions and interaction-frequency-based scoring in protein-ligand complexes. PIA was developed as part of my master's thesis "Automatic identification of important interactions and interaction-frequency-based scoring in protein-ligand complexes" in cooperation with the Institute of Pharmacy of the Paracelsus Medical Private University Salzburg.

This project is actually split up into three repositories:

  • Protein_Docking: data and implementations for my master's thesis
  • PIA: a standalone script/library incorporating everything developed for my master's thesis
  • PIAWeb: a web front-end for PIA