2016
Year 2016
- 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.
- 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.
- 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.
- 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.
- 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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