12/12/11

Interaction Fingerprint: Strasbourg lecture

Just read a lecture about Interaction Fingerprints (IFP) for the students of Master Chemoinformatique (University of Strasbourg) as tiny part of the course taught by Professor Alexandre Varnek.

What is IFP? Interaction fingerprint represent a binary string that encoding a presence or an absence of interactions of a ligand with amino acids of a protein binding site. It is a convenient and very easy way to compare and analyze binding poses of the ligands. IFPs are widely used to analyze binding poses, retrieve the correct one and help to improve virtual screening results and overcome the shortcomings of the existing scoring functions.