As part of the periodic National School for Bioinorganic Chemists organized by the Italian Chemical Society, the present activity aims at training PhD students and post-doctoral fellows in the use of advanced computational methods for the investigation of metal-binding biological systems. In particular, the use of on-line database resources in conjunction with state-of-the-art software for the simulation of the structure and dynamics of metal-binding proteins is addressed.
The participants will become able to apply state-of-the-art tools for the simulation of structure and dynamics of metal-binding biological macromolecules. The calculations may be run on a local cluster or on the European grid infrastructure. Enabling the autonomous use of web interfaces for the set-up and execution of simulations will be a specific goal.
Consiglio Nazionale delle Ricerche