Year 2016

1. Guzzo T., Mandaliti W., Nepravishta R., Aramini A., Bodo E., Daidone I., Allegretti M., Topai A. and Paci M. Conformational Change in the Mechanism of Inclusion of Ketoprofen in β-Cyclodextrin: NMR Spectroscopy, Ab Initio Calculations, Molecular Dynamics Simulations, and Photoreactivity. J. Phys. Chem. B 2016, 120: 10668-10678.
   
   
2. Daidone I., Zanetti-Polzi L., Thukral L., Alekozai E.M. and Amadei A. Theoretical-computational characterization of the temperature-dependent folding thermodynamics of a beta-hairpin peptide. Chem. Phys. Lett. 2016, 659: 247-251.
   
   
3. Zanetti-Polzi L., Corni S., Daidone I. and Amadei A. Extending the essential dynamics analysis to investigate molecular properties: application to the redox potential of proteins. Phys. Chem. Chem. Phys. 2016, 18: 18450-18459.
   
   
4. Aschi M., Barone V., Carlotti B., Daidone I., Elisei F. and Amadei A. Photoexcitation and relaxation kinetics of molecular systems in solution: towards a complete in silico model. Phys. Chem. Chem. Phys. 2016, 18: 28919-28931.
   
   
5. Zanetti-Polzi, Laura and Stefano Corni. "A dynamical approach to non-adiabatic electron transfers at the bio-inorganic interface." Physical Chemistry Chemical Physics 18.15 (2016): 10538-10549.

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