By using computational methods and the 3D structural information of the protein target, we are now able to investigate the detailed underlying molecular and atomic interactions involved in ligand:protein interactions and thus interpret experimental results in detail. The BRFAA partner has a significant track record in this area and can lead the efforts in this application area. Other partners that will contribute are the Department of Molecular Design and Biochemical Pharmacology (MDBP), Institute of Molecular Biology “Roumen Tsanev”, Bulgarian Academy of Sciences, the Department of Structure and Function of Chromatin (SFC), Institute of Molecular Biology “Roumen Tsanev”. Bulgarian Academy of Sciences, the Drug Discovery Laboratory, Faculty of Medicine, Bar-Ilan University in Israel, the Faculty of sciences and mathematics, University of Montenegro and the Faculty of Pharmacy, Ss. Cyril and Methodius University of Skopje.