Year 2013

1. M. D'Abramo, C. L. Castellazzi, M. Orozco and A. Amadei. On the Nature of DNA Hyperchromic Effect, J. Phys. Chem. B 117, 8697-8704 (2013).
   
   
2. M. D'Alessandro, A. Amadei, I.  Daidone, R. Po, A. Aessi and M. Aschi. Toward a Realistic Modeling of the Photophysics of Molecular Building Blocks for Energy Harvesting: The Charge-Transfer State in 4,7-Dithien-2-yl-2,1,3-benzothiadiazole As a Case Study. J. Phys. Chem. C 117, 13785-13797 (2013).
   
   
3. P. Marracino, F. Apollonio, M. Liberti, G.  D'Inzeo and  A.  Amadei. Effect of High Exogenous Electric Pulses on Protein Conformation: Myoglobin as a Case Study. J. Phys. Chem. B 117, 2273-2279 (2013).
   
   
4. A. Di Giampaolo, F.  Mazza, I. Daidone, G.  Amicosante, M. Perilli and M. Aschi. On the structural affinity of macromolecules with different biological properties: molecular dynamics simulations of a series of TEM-1 mutants. Biochem. Biophys. Res. Commun. 436, 666-671 (2013). 
   
   
5. A. Di Giampaolo, G. Cerichelli, M. Chiarini, I. Daidone and M. Aschi. Structure and solvation properties of aqueous sulfobetaine micelles in the presence of organic spin probes: a Molecular Dynamics simulation study. Struct. Chem. 24, 945-953 (2013).
   
   
6. G. Cattenacci, M. Aschi, G. Graziano, A. Amadei. A theoretical study on teh spectral and electrochemical properties of Ferrocene in different solvents. Inorg. Chim. Acta., 407: 82-90 (2013).
   
   
7. N. Bešker, A. Amadei and M. D'Abramo. Molecular mechanisms of activation in CDK2. J. Biomol. Struct. Dynam., (2013)
   
   
8. L. Zanetti-Polzi, M. Aschi, A.  Amadei and I. Daidone. Simulation of the Amide I Infrared Spectrum in Photoinduced Peptide Folding/Unfolding Transitions. J. Phys. Chem. B,  117:12383-12390   (2013).
   
   
9. M. D'Alessandro, M. Aschi, C. Mazzuca, A. Palleschi and A. Amadei. Erratum: "Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: The vertical transition approximation" [J. Chem. Phys.139, 114102 (2013)]. J. Chem. Phys., 139: 139902 (2013).
   
   
10. M. D'Alessandro, M. Aschi, C. Mazzuca, A. Palleschi and A. Amadei. Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: The vertical transition approximation. J. Chem. Phys., 139: 114102 (2013).
    
    
11. L. Zanetti-Polzi, P. Marracino, M. Aschi, I. Daidone, A. Fontana, F. Apollonio, M. Liberti, G. D'Inzeo and A. Amadei. Modeling triplet flavin-indole electron transfer and interradical dipolar interaction: a perturbative approach. Theor. Chem. Acc., 132: 1393 (2013).
    
    
12. A. Amadei, I. Daidone and C.A. Bortolotti. A general statistical mechanical approach for modeling redox thermodynamics: the reaction and reorganization free energies. RSC Adv., 3: 19657-19665  (2013).
    
    
13. I. Daidone, M. Aschi, M. Patamia, A. Bozzi and R. Petruzzelli. Structural and dynamical properties of KTS-disintegrins: A comparison between Obtustatin and Lebestatin. Biopolymers 99,  47-54 (2013).
    
    

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