Xavier Barril is visiting the PRBB this friday to give a seminar on the title topic.
Here it comes a short abstract of the talk:
The combination of increased availability of structural information, major boosts in computational power and methodological developments is
taking structure-based drug discovery to a higher level. I will present the main research lines of the group, focussing on the development of a new type of docking scoring functions and the elucidation of structure-kinetics relationships. Together with new experimental methods, these type of tools will enable the discovery of drugs with more diverse and effective mechanisms of action.