Research of Prof. Dr. Janez Konc focuses on the development of Protein Binding Sites (ProBiS) tools (algorithms, web servers and databases) that enable the detection of protein binding sites and ligands on experimental and modeled structures of pharmaceutically interesting proteins from the PDB or AlphaFold databases that could become targets for next-generation drugs. Recently developed tools include:

• Heuristic and exact graph-theoretic algorithms for NP-hard problems in bioinformatics (http://insilab.org/maxclique).

• ProBiS algorithm for detecting structurally similar binding sites in proteins using protein graph theory (http://insilab.org/probis-algorithm).

• ProBiS-ligands web server (http://probis.cmm.ki.si) that predicts molecular ligands and their positions for a given protein based on the detection of similarities in protein binding sites in the PDB.

• ProBiS-CHARMMing web server (https://probis.nih.gov) for predicting ligands and their binding energies based on molecular simulations.

• GenProBiS web server (http://genprobis.insilab.org), which maps sequence variants to binding sites to enable the detection of potentially harmful sequence variants in drug discovery.

• ProBiS-Dock Database (http://probis-dock-database.insilab.org), which allows the ranking of more than 1.4 million binding sites in PDB with respect to their druggability.

• ProBiS-Fold web server (http://probis-fold.insilab.org), which determines protein binding sites for all ligand types for the entire human structural proteome from the AlphaFold database.