The Program is constituted by seven groups:

• Chemogenomics, Jordi Mestres
• Computational Biochemistry and Biophysics, Jordi Villà-Freixa 
• Computational Genomics, Mar Albà 
• Computer-Assisted Drug Design, Manuel Pastor 
• Integral Biomedical informatics, Ferran Sanz
• Structural bioinformatics , Baldomero Oliva