2005

Year 2005
  1. G. Brancato, A. Di Nola, V. Barone and A. Amadei A mean field approach for molecular simulations of fluid systems. J. Chem. Phys.122, 154109 (2005).icona-pdf
  2. M. D'Alessandro, M. D'Abramo, M. Paci and A. Amadei. Theoretical Study of the Thermodynamics of a Solvated Peptide Contryphan Vn Physica Scripta T118,  196,  (2005).icona-pdf
  3. I. Daidone, M. D'Abramo, A. Di Nola and A. Amadei Theoretical characterization of a-helix and β-hairpin folding kinetics. J.Am.Chem.Soc. 127(42),   14825 - 14832  (2005).icona-pdf
  4. C. Bossa, A. Amadei, I. Daidone, M. Anselmi, M. Brunori, B. Vallone and A. Di Nola. Molecular dynamics simulation of sperm whale myoglobin: effects of mutations and trapped CO on the structure and cavities dynamics. Biophys. J. 89, 465-474 (2005).icona-pdf
  5. M. D'Alessandro, F. Marinelli, M. D'Abramo, M. Aschi, A. Di Nola and A. Amadei. Ground and excited electronic state thermodynamics of aqueous carbon monoxide: a theoretical study. J. Chem. Phys. 122, 124507 (2005).icona-pdf
  6. M. Aschi, C. Di Teodoro, A. Amadei, D. Roccatano, F. Malatesta and L. Ottaviano Conformational and electronic properties of a microperoxidase in aqueous solution: a computational study. ChemPhysChem 6(4), 681-689 (2005).icona-pdf
  7. A. Amadei, F. Marinelli, M. D'Abramo, M. D'Alessandro, M. Anselmi, A. Di Nola and M. Aschi Theoretical modeling of vibro-electronic quantum states in complex molecular systems: solvated carbon monoxide, a test case. J. Chem. Phys. 122, 124506 (2005).icona-pdf
  8. M. Aschi, M. D'Abramo, C. Di Teodoro, A. Di Nola and A. Amadei Theoretical characterization of liquid water electronic excitation. ChemPhysChem. 6(1), 53-58 (2005).icona-pdf
  9. M. D'Abramo, M. Aschi, A. Di Nola and A. Amadei Calculation of the Optical Rotatory Dispersion of solvated alanine by means oF the Perturbed Matrix Method. Chem. Phys. Lett. 402, 559-563 (2005).icona-pdf
  10. G. Colombo, I. Daidone, E. Gazit, A. Amadei and A. Di Nola Molecular dynamics simulation of the aggregation of the core recognition motif of the islet amyloid polypeptide in explicit water. Proteins: Structure, Function, and Bioinformatics 59(3) 519-527 (2005).icona-pdf
  11. D. Roccatano, G. Sbardella, G. Amicosante, M. Aschi, C. Bossa, A. Di Nola and F. Mazza Dynamical Aspects of  TEM-1 β-Lactamase Probed by Molecular Dynamics. J. Comp.-Aided Molecular Design 19 329-340 (2005) .icona-pdf
  12. M. D'Abramo, M. D'Alessandro, A. Di Nola, D. Roccatano and A. Amadei Characterization of liquid behaviour by means of local density fluctuations. J. Mol. Liq. 117, 17-21 (2005).icona-pdf
  13. I. Daidone, A. Amadei and A. Di Nola Thermodynamic and kinetic characterization of a β-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water. Proteins: Structure, Function, and Bioinformatics 59(3) 510-518 (2005).icona-pdf

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