The Research Group on Pharmacoinformatics is led by Dr. Manuel Pastor. The group focuses on develop useful tools that increase the efficiency of the pharmaceutical R&D process. At the same time, the need of producing robust models led us to overcome reductionist approaches and to develop multi-scale methods, depicting richer and more realistic representations of the phenomena under study than those produced by classical computational methods.

The main research lines are:

  • In silico methods for drug safety assessment
  • Molecular Interaction Fields in drug design
  • Novel MIF-based molecular descriptors
  • Molecular modeling of GPCR

Research group website

GRIB website