Foto del docente

Matteo Calvaresi

Associate Professor

Department of Chemistry "Giacomo Ciamician"

Academic discipline: CHIM/06 Organic Chemistry


Keywords: Nanotechnology Fullerenes Carbon nanoparticles Nanomedicine Computational Chemistry

Computational Nanotechnology
Computational Biophysics
Computational Organic Chemistry


- Protein/carbon nanoparticles hybrids for application in nanotechnology and nanomedicine

- Medical applications of drug/calcite hybrid crystals: from targeted delivery carriers to active scaffolds

- Synthesis of hybrid carbon nanoparticles/calcium carbonate nanocomposite. Morphological and mechanical characterization.

- Marine biomaterials as innovative scaffolds for regenerative medicine

Computational chemistry

Application of different computational methods (multiscale modelling) in computational nanotechnology and biophisics: ab-initio quantum chemical programs (Gaussian-03 and 09, TURBOMOLE), molecular mechanics and dynamics (CHARMM, AMBER, NAMD, Tinker), docking and virtual screening (DOCK, AutoDock, PatchDock, FireDock), modelling tools for soft-matter simulations (CULGI, ESPResSo)

- Computational Nanotechnology: Electronic structure of fullerenes, metalloendohedral fullerenes and nanotubes. Nanopeapods. Surfactant/carbon nanoparticles self-assembly. Micellar systems. Interactions between fullerenes, nanotubes, nanoparticles and biomolecules. Interactions between nano-objects and membranes

- Computational Biophysics: Simulation of enzymatic mechanisms. Conformational studies of peptides and proteins. Drug design and virtual screening. Interaction between proteins and surfaces

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