e-mail: fortuna at sissa.it
Research Fellow and coordinator of the MONALISA Theory section, University of Udine.
Now TALENTS3 fellow at Center for biomedical sciences and engineering, University of Nova Gorica (Slovenia), and SISSA, Trieste (Italy).
Contract professor of Practical Informatics, Pharmacy and CTF, Department of Chemical and Pharmaceutical Sciences, University of Trieste.
29/11/2016 Dr. Fortuna has been awarded an AIRC MFAG research grant (225,00€, 3 years) with the project "Computational design of customised nanobodies for oncology applications: prognostic candidates for HER2 as first case"
08/12/2016 Dr. Fortuna has been awarded a RSC Research Fund Grant (2,700£) with the project "Computational design of bidentate binders of increased affinity and selectivity"
The MONALISA Theory section has been set-up in the framework of the ERC/AIRC projects led by Prof.G.Scoles to complement the experimental activity of the MONALISA Medical Group and the MONALISA AFM group both set-up under the same framework. Main aim of the MONALISA Theory section is to provide novel theoretical solutions to problem of medical interest. In particular, the group (M.Soler, A.Russo, C.Dongmo) is currently working on developing new peptide-based nanodevices.
Sara Fortuna has been awarded her PhD in Chemistry from Warwick University in September 2010 and, after spending two years in SISSA in Dr. Fabris group looking at metal-supported organometallic nanostructures, she is now working in Prof.Scoles group in the Department of Medical and Biological Sciences at the University of Udine on a project entitled “Molecular Simulations for Nanomedicine”.
Her area of expertise is in the multiscale modelling of noncovalently bound molecular systems. She acquired competences in both soft-matter (lattice and off-lattice models, Monte Carlo and molecular dynamics simulations) and DFT techniques. This skill set is suitable for and transferable to the study of the structure-properties relationship of a large variety of chemical systems. Now her research mainly focuses on the peptide-protein interactions for the optimisation of peptide-based binders for molecular recognition in the framework of the MONALISA Theory section.
Refereed Papers in Journals
- M.A. Soler, A. Rodriguez, A. Russo, A. Feyisara Adedeji, C.J. Dongmo Foumthuim, C. Cantarutti, E. Ambrosetti, L. Casalis, A. Corazza, G. Scoles, D. Marasco, A. Laio, S. Fortuna
Computational design of cyclic peptides for the customized oriented immobilization of globular proteins
Phys. Chem. Chem. Phys., 2017, 19, 2740 - 2748.
- M.A. Soler, A. de Marco, S. Fortuna
Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies
Sci. Rep., 2016, 6, 34869.
- S. Fortuna
Oxalic acid adsorption states on the clean Cu(110) surface
Surf. Sci., 2016, 653, pp 41-44
- S. Fortuna, D.L. Cheung, K. Johnston
Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: a lattice-model view
J. Chem. Phys., 2016, 144(13), 134707.
- F. Fogolari, C.J. Dongmo Foumthuim, S. Fortuna, M.A. Soler, A. Corazza, G. Esposito
Accurate estimation of the entropy of rotation-translation probability distributions
J. Chem. Theory Comput., 2016, 12 (1), pp 1-8
- S. Fortuna, F. Fogolari, G. Scoles
Chelating effect in short polymers for the design of bidentate binders of increased affinity and selectivity
Sci. Rep., 2015, 5, 15633.
- A. Russo, P.L. Scognamiglio, R.P. Hong Enriquez, C. Santambrogio, R. Grandori, D. Marasco, A. Giordano, G. Scoles, and S. Fortuna
In silico generation of peptides by replica exchange Monte Carlo: Docking-based optimization of maltose-binding-protein ligands
PLoS ONE, 2015, 10(8): e0133571.
- F. Fogolari, A. Corazza, S. Fortuna, M.A. Soler, B. VanSchouwen, G. Brancolini, S. Corni, G. Melacini, and G. Esposito
Distance-based configurational entropy of proteins from molecular dynamics simulations
PLoS ONE, 2015, 10(7): e0132356
- P. Gargiani, G. Rossi, R. Biagi, V. Corradini, M. Pedio, S. Fortuna, A. Calzolari, S. Fabris, J. Criginski Cezar, N. Brookes, and M.G. Betti
Spin and orbital configuration of metal phthalocyanine chains assembled on the Au(110) surface
Phys. Rev. B, 2013, 87, 165407
- M.G. Betti, P. Gargiani, C. Mariani, R. Biagi, J. Fujii, G. Rossi, A. Resta, S. Fabris, S. Fortuna, X. Torrelles, M. Kumar, M. Pedio
Structural phases of ordered FePc-nanochains self-assembled on Au(110)
Langmuir, 2012, 28 (37), pp 13232-13240
- M.G. Betti, P. Gargiani, C. Mariani, S. Turchini, N. Zema, S. Fortuna, A. Calzolari, and S. Fabris
Formation of Hybrid Electronic States in FePc Chains Mediated by the Au(110) Surface
J. Phys. Chem. C, 2012, 116 (15), pp 8657-8663
- S. Fortuna, P. Gargiani, M.G. Betti, C. Mariani, A. Calzolari, S. Modesti, and S. Fabris
Molecule-Driven Substrate Reconstruction in the Two-Dimensional Self-Organization of Fe-Phthalocyanines on Au(110)
J. Phys. Chem. C, 2012, 116 (10), pp 6251-6258
- R. Chen, D. J. G. Pearce, S. Fortuna, D. L. Cheung, and S. A. F. Bon
Polymer Vesicles with a Colloidal Armor of Nanoparticles
J. Am. Chem. Soc., 2011, 133 (7), pp 2151-2153
- S. Fortuna, and A. Troisi
Agent based modelling for the 2D molecular self-organization of realistic molecules
J. Phys. Chem. B, 2010, 114 (31), pp 10151-10159
- S. Fortuna, D. L. Cheung, and A. Troisi
Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface
J. Phys. Chem. B, 2010, 114 (5), pp 1849-1858
- S. Fortuna, and A. Troisi
An artificial intelligence approach for modeling molecular self-assembly: Agent Based simulations of rigid molecules
J. Phys. Chem. B, 2009, 113 (29), pp 9877-9885
- S. Fortuna, C. A. L. Colard, A. Troisi, and S. A. F. Bon
Packing patterns of silica nanoparticles on surfaces of armored polystyrene latex particles
Langmuir, 2009, 25 (21), pp 12399-12403 (COVER ARTICLE)