Molecular dynamics of proteins adsorption on biomaterials and sustainable coatings using atomistic simulations

Giuseppina Raffaini, Fabio Ganazzoli

Selected publications:
1) Raffaini G.; Ganazzoli F., “Understanding the Performance of Biomaterials through Molecular Modeling: Crossing the Bridge between their Intrinsic Properties and the Surface Adsorption of Proteins”, Macromolecular Bioscience 2007, 7, 552-556. DOI: 10.1002/mabi.200600278.

2) Ganazzoli, F.; Raffaini, G., “Classical atomistic simulations of protein adsorption on carbon nanomaterials”, Current opinion in colloid & Interface Science 2019, 41, 11-26. DOI: 10.1016/j.cocis.2018.11.008.

3) Raffaini, G.; Ganazzoli, F., Surface Topography Effects in Protein Adsorption on Nanostructured Carbon Allotropes, Langmuir 2013, 29, 4883-4893. DOI: 10.1021/la3050779.

4) Raffaini, G.; Ganazzoli, F., Molecular modelling of protein adsorption on the surface of titanium dioxide polymorphs, Phil. Trans. R. Soc. A, 2012, 370, 1444-1462. DOI10.1098/rsta.2011.0266.

5) Raffaini, G.; Ganazzoli, F., Separation of chiral nanotubes with an opposite handedness by chiral oligopeptide adsorption: A molecular dynamics study, Langmuir 2013, 29, 4883-4893. DOI: 10.1021/la3050779.

6) Dichiarante, V.; Espinoza, M.I.M.; Gazzera, L.; Vuckovac, M.; Latikka, M.; Cavallo, G.; Raffaini, G.; Oropesa-Nunez, R.; Canale, C.; Dante, S.; Marras, S.; Carzino, R.; Prato, M.; Ras, R.H.A.; Metrangolo, P., A Short-Chain Multibranched Perfluoroalkyl Thiol for More Sustainable Hydrophobic Coatings, ACS Sustainable Chemistry & Engineering 2018, 6, 9734-9743. DOI: 10.1021/acssuschemeng.8b00777.

7) Diamanti, M.V.; Rosales, E.A.P.; Raffaini, G.; Ganazzoli, F.; Brenna, A. Pedeferri, M.; Ormellese, M., Molecular modelling and electrochemical evaluation of organic inhibitors in concrete, Corrosion Science 2015, 100, 231-241. DOI 10.1016/j.corsci.2015.07.034.