For the virtual screening of molecules selectively interacting with defined biological systems, aimed to the identification, simulation and validation of new pharmaceutical targets; for the prediction of the properties of molecular systems and nanostructured materials of technological interest (i.e., for applications in the area of renewable energies or optoelectronics).

Computational Modeling is a strategical key point across all the four main research topics in SCITEC. It's possible to find it scrolling the projects and the subjects in the main topic pages.