Multi-scale computer modeling has become an essential tool in molecular biophysics, to complement and support experimental activity. The intrinsically hierarchical organization of the living matter implies that biological phenomena span several order of magnitude of space and time scale, requiring the use of a number of different modeling techniques representing the system at different resolution levels: atomic, molecular, cellular and tissutal.
At NANO, these methodologies are developed and synergistically used in combination with experimental techniques in a number of different applications. In some cases, the methodological development intersects with the specific application, making this research line transversal to the others and particularly multidisciplinary.
- Multi-scale simulations: development
- Biofunctionalised metal nanoparticles for therapeutic and diagnostic applications
- Deep learning and optical tweezers to study intrinsically disordered proteins of therapeutic value
- Developments of models for biomolecules-inorganic surfaces and nanostructures interactions
- Modeling of charge transfer reactions
- Modeling of infrared and UV-VIS spectra
- Mn2+ mediated detection of RNA and DNA through surface hybridization with PNA
- A multidisciplinary approach to FLASH radiotherapy
- Models of aerogel networks from pyrolysis of proteins