Rubio Martínez, Jaime
Biocatalysis and drug discovery
Department of Materials Science & Physical Chemistry
Faculty of Chemistry
University of Barcelona
c/Martí i Franquès, 1+34 93 4039263
My research work started in 1983 working in the theoretical study of chemisorption processes. In this research line I worked in the development of new methods for the study of the interaction between a molecule and a solid surface with the goal of obtaining a deeper knowledge of heterogeneous catalysis. In 2002 I changed my research line and I created the Modelling of Biological systems and Drug Design research group associated to the Materials Science and Physical Chemistry department at the University of Barcelona (UB) and to the Institute of Theoretical and Computational Chemistry (IQTCUB). The group has now extensive experience in the field of Computational Chemistry and Molecular Modelling and in the use of structure-based drug design methodology for the design of new compounds with possible pharmacological activity. The main goal of the group is the design, using molecular modeling techniques, of compounds with pharmacological activity. Taking advantage of our previous experience the group is also still working in the development of new computational tools in order to make easier the drug design process and to increase its effectivity. The group promotes interdisciplinary research through collaborations with experimental groups working in targets related to cancer, Parkinson, Alzheimer, Malaria or Tuberculosis diseases.