2009

Year 2009
  1. L. Thukral, J.C. Smith and I. Daidone. Common folding mechanism of a beta-hairpin peptide via non-native turn formation revealed by unbiased molecular dynamics simulations. J. Am. Chem. Soc. 131, 18147-18152 (2009).icona-pdf
  2. M. D'Abramo, M. Aschi and A. Amadei Charge transfer equilibria of aqueous single stranded DNA. Phys. Chem.Chem. Phys. 11, 10614-10618 (2009).icona-pdf
  3. A. Tarquini, P.  Marracino, F. Apollonio, M. Liberti, G. d'Inzeo, A. Amadei and A. Di Nola Theoretical and computational characterization of the thermodynamic effects of external fields in dilute ionic solutions. IJLSS, Accepted (2009).

  4. A. Amadei, M. D'Alessandro, M. D'Abramo and M. Aschi Theoretical characterization of electronic states in interacting chemical systems J. Chem. Phys. 130(8),  08410 (2009).icona-pdf
  5. S. Tatoli, C. Zazza, N. Sanna, A. Palma and M. Aschi. The role of Arginine 38 in horseradish peroxidase enzyme  revisited: A computational investigation. Biophys. Chem. 141, 87-93 (2009).icona-pdf
  6. C. Zazza, G. Mancini, N. Sanna and M. Aschi. Thermodynamic features and environmental effects in a two-states molecular device under strict electrochemical control. Theor Chem. Acc., 123, 383-390 (2009).icona-pdf
  7. M. D'Abramo, R. Caminiti, A. Di Nola and A. Amadei What can we learn by comparing experimental and theoretical-computational X-ray scattering data? J. Mol. Liq. 144(1-2), 9-12 (2009).icona-pdf
  8. L. Zanetti-Polzi, M. Anselmi, M. D'Alessandro, A. Amadei and A. Di Nola Structural, thermodynamic and kinetic properties of Gramicidin analogue GS6 studied by molecular dynamics simulations and statistical mechanics. Biopolymers 91(12),1154-1160 (2009).icona-pdf
  9. M. D'Abramo,  A. Di Nola and A. Amadei The Kinetics of Carbon Monoxide migration and binding in solvated Myoglobin as revealed by Molecular Dynamics simulations. J. Phys. Chem. B 113, 16346-16353 (2009).icona-pdf
  10. R. Schulz, M. Krishnan, I. Daidone and J.C. Smith. Instantaneous Normal Modes and the Protein Glass Transition. Biophys. J. 96, 476-484 (2008). icona-pdf

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