Andrea Amadei

Qualifica
RICERCATORI / CONFERMATI
Fonte dei dati: Archivio della Ricerca http://art.torvergata.it
  1. Daidone, I., Amadei, A., Aschi, M., & Zanetti-Polzi, L. (2018). On the nature of solvatochromic effect: The riboflavin absorption spectrum as a case study. SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 192, 451-457. Dettagli
  2. Daidone, I., Amadei, A., Del Galdo, S., & D’Abramo, M. (2018). Density discriminates between thermophilic and mesophilic proteins. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 36(12), 3265-3273. Dettagli
  3. Carrillo-Parramon, O., Del Galdo, S., Aschi, M., Mancini, G., Amadei, A., & Barone, V. (2017). Flexible and Comprehensive Implementation of MD-PMM Approach in a General and Robust Code. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13(11), 5506-5514. Dettagli
  4. Zanetti-Polzi, L., Aschi, M., Amadei, A., & Daidone, I. (2017). Alternative Electron- Transfer Channels Ensure Ultrafast Deactivation of Light-Induced Ex- cited States in Riboflavin Binding Protein. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 8(14), 3321-3327. Dettagli
  5. Zanetti-Polzi, L., Aschi, M., Daidone, I., & Amadei, A. (2017). Theoretical modeling of the absorption spectrum of aqueous riboflavin, 669, 119-124. Dettagli
  6. Zanetti-Polzi, L., Davis, C.m., Gruebele, M., Dyer, R.b., Amadei, A., & Daidone, I. (2017). Parallel folding pathways of Fip35 WW domain explained by infrared spectra and their computer simulation. FEBS LETTERS, 591(20), 3265-3275. Dettagli
  7. Besker, N., Amadei, A., & D'Abramo, M. (2014). Molecular mechanisms of activation in CDK2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 32(12), 1929-1935. Dettagli
  8. D'Abramo, M., Aschi, M., & Amadei, A. (2014). Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: Explicit treatment of the vibronic transitions. THE JOURNAL OF CHEMICAL PHYSICS, 140(164104). Dettagli
  9. Daidone, I., Amadei, A., Zaccanti, F., Borsari, M., & Bortolotti, C.A. (2014). How the Reorganization Free Energy Affects the Reduction Potential of Structurally Homologous Cytochromes. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 5(9), 1534-1540. Dettagli
  10. Daidone, I., Paltrinieri, L., Amadei, A., Battistuzzi, G., Sola, M., Borsari, M., et al. (2014). Unambiguous Assignment of Reduction Potentials in Diheme Cytochromes. JOURNAL OF PHYSICAL CHEMISTRY. B, MATERIALS, SURFACES, INTERFACES, & BIOPHYSICAL, 118(27), 7554-7560. Dettagli
  11. Piacente, G., Amadei, A., D'Abramo, M., Daidone, I., & Aschi, M. (2014). Theoretical-computational modeling of photo-induced charge separation spectrum and charge recombination kinetics in solution. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16(38), 20624-20638. Dettagli
  12. Piacente, G., D'Aiuto, V., Aschi, M., Cerichelli, G., Chiarini, M., & Amadei, A. (2014). Inclusion of cybotactic effect in the theoretical modeling of absorption spectra of liquid-state systems with perturbed matrix method and molecular dynamics simulations: the UV-Vis absorption spectrum of para-nitroaniline as a case study. THEORETICAL CHEMISTRY ACCOUNTS, 133(5), 10. Dettagli
  13. D'Alessandro, M., Aschi, M., Mazzuca, C., Palleschi, A., & Amadei, A. (2013). Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: the vertical transition approximation. THE JOURNAL OF CHEMICAL PHYSICS, 139, 114102. Dettagli
  14. Amadei, A., Daidone, I., & Bortolotti, C.A. (2013). A general statistical mechanical approach for modeling redox thermodynamics: the reaction and reorganization free energies. RSC ADVANCES, 3, 19657-19665. Dettagli
  15. Cattenacci, G., Aschi, M., Graziano, G., & Amadei, A. (2013). A theoretical study on the spectral and electrochemical properties of Ferrocene in different solvents. INORGANICA CHIMICA ACTA, 407(1), 82-90. Dettagli
  16. D'Abramo, M., Castellazzi, C., Orozco, M., & Amadei, A. (2013). On the nature of DNA hyperchromic effect. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 117(29), 8697-8704. Dettagli
  17. D'Alessandro, M., Amadei, A., Daidone, I., Po, R., Alessi, A., & Aschi, M. (2013). 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. JOURNAL OF PHYSICAL CHEMISTRY. C, 117(27), 13785-13797. Dettagli
  18. Marracino, P., Apollonio, F., Liberti, M., D'Inzeo, G., & Amadei, A. (2013). Effect of High Exogenous Electric Pulses on Protein Conformation: Myoglobin as a Case Study. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 117(8), 2273-2279. Dettagli
  19. Zanetti-Polzi, L., Aschi, M., Amadei, A., & Daidone, I. (2013). Simulation of the Amide 1 Infrared Spectrum in Photoinduced Peptide Folding/Unfolding Transitions. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 117(41), 12383-12390. Dettagli
  20. Zanetti-Polzi, L., Marracino, P., Aschi, M., Daidone, I., Fontana, A., Apollonio, F., et al. (2013). Modeling triplet flavin-indole electron transfer and interradical dipolar interaction: a perturbative approach. THEORETICAL CHEMISTRY ACCOUNTS, 132, 1393. Dettagli
  21. Amadei, A., Daidone, I., & Aschi, M. (2012). A general theoretical model for electron transfer reactions in complex systems. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14(4), 1360-1370. Dettagli
  22. Anselmi, M., Marocchi, S., Aschi, M., & Amadei, A. (2012). Theoretical modeling of the spectroscopic absorption properties of luciferin and oxyluciferin: A critical comparison with recent experimental studies. CHEMICAL PHYSICS, 392(1), 205-214. Dettagli
  23. Aschi, M., Amadei, A., Pellegrino, A., Perin, N., & Po, R. (2012). Thermal and environmental effects on Oligothiophene low-energy singlet electronic excitations in dilute solution: a theoretical and experimental study. THEORETICAL CHEMISTRY ACCOUNTS, 131(3). Dettagli
  24. Bortolotti, C., Amadei, A., Aschi, M., Borsari, M., Corni, S., Sola, M., et al. (2012). The Reversible Opening of Water Channels in Cytochrome c Modulates the Heme Iron Reduction Potential. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 134(33), 13670-13678. Dettagli
  25. Daidone, I., & Amadei, A. (2012). Essential dynamics: foundation and applications. WILEY INTERDISCIPLINARY REVIEWS. COMPUTATIONAL MOLECULAR SCIENCE, 2(5), 762-770. Dettagli
  26. Polzi, L., Daidone, I., & Amadei, A. (2012). A Theoretical reappraisal of polylysine in the investigation of secondary structure sensitivity of infrared spectra. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 116(10), 3353-3360. Dettagli
  27. Amadei, A., Daidone, I., Zanetti-Polzi, L., & Aschi, M. (2011). Modeling quantum vibrational excitations in condensed-phase systems. THEORETICAL CHEMISTRY ACCOUNTS, 129(1), 31-43. Dettagli
  28. Anselmi, M., Di Nola, A., & Amadei, A. (2011). Kinetics of Carbon Monoxide Migration and Binding in Solvated Neuroglobin As Revealed by Molecular Dynamics Simulations and Quantum Mechanical Calculations. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 115(10), 2436-2446. Dettagli
  29. Anselmi, M., Di Nola, A., & Amadei, A. (2011). The effects of the L29F mutation on the ligand migration kinetics in crystallized myoglobin as revealed by molecular dynamics simulations. PROTEINS, 79(3), 867-879. Dettagli
  30. Aschi, M., Zappacosta, R., De Maria, P., Siani, G., Fontana, A., & Amadei, A. (2011). Entropy-Energy Balance in Base Catalyzed Keto-Enol Interconversion: A Joint Theoretical and Experimental Investigation. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 111(7-8), 1293-1305. Dettagli
  31. D'Abramo, M., Orozco, M., & Amadei, A. (2011). Effects of local electric fields on the redox free energy of single stranded DNA. CHEMICAL COMMUNICATIONS, 47(9), 2646-2648. Dettagli
  32. Marracino, P., Amadei, A., Apollonio, F., D'Inzeo, G., Liberti, M., Di Crescenzo, A., et al. (2011). Modeling of chemical reactions in micelle: water-mediated keto-enol interconversion as a case study. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 115(25), 8102-8111. Dettagli
  33. Polzi, L., Daidone, I., Anselmi, M., Carchini, G., Di Nola, A., & Amadei, A. (2011). Analysis of Infrared Spectra of beta-Hairpin Peptides As Derived from Molecular Dynamics Simulations. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 115(41), 11872-11878. Dettagli
  34. Amadei, A., Daidone, I., Di Nola, A., & Aschi, M. (2010). Theoretical-computational modeling of infrared spectra in peptides and proteins: a new frontier for combined theoretical-experimental investigations. CURRENT OPINION IN STRUCTURAL BIOLOGY, 20, 155-161. Dettagli
  35. Aschi, M., Fontana, A., Di Meo, E., Zazza, C., & Amadei, A. (2010). Characterization of electronic properties in complex molecular systems: modeling of a micropolarity probe. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 114(5), 1915-1924. Dettagli
  36. Costantino, Z., Amedeo, P., & Amadei, A. (2010). On the catalytic role of structural fluctuations in enzyme reactions: computational evidence on the formation of compound 0 in horseradish peroxidase. FARADAY DISCUSSIONS, 145, 107-119. Dettagli
  37. Daidone, I., Aschi, M., Zanetti-Polzi, L., Di Nola, A., & Amadei, A. (2010). On the origin of IR spectral changes upon folding. CHEMICAL PHYSICS LETTERS, 488(4-6), 213-218. Dettagli
  38. Merlino, A., Vergara, A., Sica, F., Aschi, M., Amadei, A., Di Nola, A., et al. (2010). Free-energy profile for CO binding to separated chains of human and Trematomus newnesi hemoglobin: insights from molecular dynamics simulations and perturbed matrix method. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 114(20), 7002-7008. Dettagli
  39. Zazza, C., Mancini, G., Amadei, A., Sanna, N., & Aschi, M. (2010). A fast redox-induced switching mechanism in a conformationally controllable molecular thread in solution. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12, 4552-4554. Dettagli
  40. Amadei, A., D'Alessandro, M., D'Abramo, M., & Aschi, M. (2009). Theoretical characterization of electronic states in interacting chemical systems. THE JOURNAL OF CHEMICAL PHYSICS, 130(8). Dettagli
  41. D'Abramo, M., Aschi, M., & Amadei, A. (2009). Charge transfer equilibria of aqueous single stranded DNA. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(45), 10614-10618. Dettagli
  42. D'Abramo, M., Caminiti, R., Di Nola, A., & Amadei, A. (2009). What can we learn by comparing experimental and theoretical-computational X-ray scattering data?. JOURNAL OF MOLECULAR LIQUIDS, 144, 9-12. Dettagli
  43. D'Abramo, M., Di Nola, A., & Amadei, A. (2009). Kinetics of carbon monoxide migration and binding in solvated myoglobin as revealed by molecular dynamics simulations and quantum mechanical calculations. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 113(51), 16346-16353. Dettagli
  44. Zanetti-Polzi, L., Anselmi, M., D'Alessandro, M., Amadei, A., & Di Nola, A. (2009). Structural, Thermodynamic, and Kinetic Properties of Gramicidin Analogue GS6 Studied by Molecular Dynamics Simulations and Statistical Mechanics. BIOPOLYMERS, 91(12), 1154-1160. Dettagli
  45. Anselmi, M., Nola, A.D., & Amadei, A. (2008). The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations. BIOPHYSICAL JOURNAL, 94(11), 4277-4281. Dettagli
  46. Apollonio, F., Liberti, M., Amadei, A., Aschi, M., Pellegrino, M., D'Alessandro, M., et al. (2008). Mixed quantum-classical methods for molecular simulations of biochemical reactions with microwave fields: The case study of myoglobin. IEEE TRANSACTIONS ON MICROWAVE THEORY AND TECHNIQUES, 56(11), 2511-2519. Dettagli
  47. Aschi, M., D'Alessandro, M., Pellegrino, M., Nola, A.D., D'Abramo, M., & Amadei, A. (2008). Intramolecular charge transfer in pi-conjugated oligomers: a theoretical study on the effect of temperature and oxidation state. THEORETICAL CHEMISTRY ACCOUNTS, 119, 469-476. Dettagli
  48. D'Abramo, M., Di Nola, A., Aschi, M., & Amadei, A. (2008). Theoretical characterization of temperature and density dependence of liquid water electronic excitation energy: Comparison with recent experimental data. THE JOURNAL OF CHEMICAL PHYSICS, 128(2). Dettagli
  49. D'Alessandro, M., Di Lella, A., Aschi, M., Di Nola, A., & Amadei, A. (2008). Theoretical characterization of structural and energetical properties of water clusters, by means of a simple polarizable water Hamiltonian. JOURNAL OF MOLECULAR LIQUIDS, 142, 111-117. Dettagli
  50. Narzi, D., Daidone, I., Amadei, A., & Nola, A.D. (2008). Protein folding pathways revealed by essential dynamics sampling. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 4(11), 1940-1948. Dettagli
  51. Noe, F., Daidone, I., Smith, J.C., Di Nola, A., & Amadei, A. (2008). Solvent electrostriction-driven peptide folding revealed by quasi-Gaussian entropy theory and molecular dynamics simulation. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 112(35), 11155-11163. Dettagli
  52. Pellegrino, M., Apollonio, F., Liberti, M., Amadei, A., Di Nola, A., & D'Inzeo, G. (2008). Molecular simulations of biochemical processes in presence of a MW signal. In 2008 IEEE International Symposium on Antennas and Propagation and USNC/URSI National Radio Science Meeting, APSURSI. Dettagli
  53. Zazza, C., Amadei, A., Palma, A., Sanna, N., Tatoli, S., & Aschi, M. (2008). Theoretical modeling of enzyme reactions: The thermodynamics of formation of compound 0 in horseradish peroxidase. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 112(10), 3184-3192. Dettagli
  54. Zazza, C., Amadei, A., Sanna, N., & Aschi, M. (2008). Can a synthetic thread act as an electrochemically switchable molecular device?. CHEMICAL COMMUNICATIONS(29), 3399-3401. Dettagli
  55. Amadei, A., D'Abramo, M., Daidone, I., D'Alessandro, M., Nola, A.D., & Aschi, M. (2007). Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the Haem carbon monoxide binding-unbinding reaction in Myoglobin. THEORETICAL CHEMISTRY ACCOUNTS, 117, 637-647. Dettagli
  56. Amadei, A., D'Abramo, M., Nola, A.D., Arcadi, A., Cerichelli, G., & Aschi, M. (2007). Theoretical study of intramolecular charge transfer in pi-conjugated oligomers. CHEMICAL PHYSICS LETTERS, 434, 194-199. Dettagli
  57. Anselmi, M., Aschi, M., Di Nola, A., & Amadei, A. (2007). Theoretical characterization of carbon monoxide vibrational spectrum in Sperm Whale Myoglobin distal pocket. BIOPHYSICAL JOURNAL, 92(10), 3442-3447. Dettagli
  58. Bozzi, A., Coccia, C., Di Giulio, A., Rinaldi, A.C., Amadei, A., Mignogna, G., et al. (2007). Folding propensity and biological activity of peptides: New insights from conformational properties of a novel peptide derived from Vitreoscilla haemoglobin. BIOPOLYMERS, 87(1), 85-92. Dettagli
  59. D'Abramo, M., & Aschi M., M.F. (2007). Theoretical prediction of thermodynamic equilibrium constants of chemical reactions in water. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM, 811, 197-201. Dettagli
  60. Daidone, I., Ulmschneider, M.B., Di Nola, A., Amadei, A., & Smith, J.C. (2007). Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding. Proceedings of the National Academy of Sciences of the United States of America, 104(39), 15230-15235. Dettagli
  61. Amadei, A., D'Alessandro, M., Paci, M., Di Nola, A., & Aschi, M. (2006). On the effect of a point mutation on the reactivity of CuZn superoxide dismutase: A theoretical study. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 110(14), 7538-7544. Dettagli
  62. Aschi, M., D'Abramo, M., Ramondo, F., Daidone, I., D'Alessandro, M., Di Nola, A., et al. (2006). Theoretical modeling of chemical reactions in complex environments: The intramolecular proton transfer in aqueous malonaldehyde. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 19, 518-530. Dettagli
  63. Aschi, M., D'Abramo, M., Ramondo, F., Daidone, I., D'Alessandro, M., Di Nola, A., et al. (2006). Theoretical modeling of chemical reactions in complex environments: The intramolecular proton transfer in aqueous malonaldehyde. In Journal of Physical Organic Chemistry (pp.518-530). CHICHESTER : JOHN WILEY & SONS LTD. Dettagli
  64. D'Abramo, M., Aschi, M., Di Nola, A., & Amadei, A. (2006). On the importance of configurational sampling in theoretical calculation of electronic properties of complex molecular systems: Acetone in water. CHEMICAL PHYSICS LETTERS, 424, 289-294. Dettagli
  65. D'Abramo, M., Rinaldi, A.C., Bozzi, A., Amadei, A., Mignogna, G., Di Nola, A., et al. (2006). Conformational behavior of temporin A and temporin L in aqueous solution: A computational/experimental study. BIOPOLYMERS, 81(3), 215-224. Dettagli
  66. Flock, D., Rossetti, G., Daidone, I., Amadei, A., & Di Nola, A. (2006). Aggregation of small peptides studied by molecular dynamics simulations. PROTEINS, 65(4), 914-921. Dettagli
  67. Zazza, C., Amadei, A., Sanna, N., Grandi, A., Chillemi, G., Di Nola, A., et al. (2006). Theoretical modeling of the valence UV spectra of 1,2,3-triazine and uracil in solution. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 8(12), 1385-1393. Dettagli
  68. Amadei, A., Marinelli, F., D'Abramo, M., D'Alessandro, M., Anselmi, M., Di Nola, A., et al. (2005). Theoretical modeling of vibroelectronic quantum states in complex molecular systems: Solvated carbon monoxide, a test case. THE JOURNAL OF CHEMICAL PHYSICS, 122(12), 1-10. Dettagli
  69. Aschi, M., D'Abramo, M., Di Teodoro, C., Di Nola, A., & Amadei, A. (2005). Theoretical characterisation of the electronic excitation in liquid water. CHEMPHYSCHEM, 6(1), 53-58. Dettagli
  70. Bossa, C., Amadei, A., Daidone, I., Anselmi, M., Vallone, B., Brunori, M., et al. (2005). Molecular dynamics simulation of sperm whale myoglobin: Effects of mutations and trapped CO on the structure and dynamics of cavities. BIOPHYSICAL JOURNAL, 89(1), 465-474. Dettagli
  71. Brancato, G., Di Nola, A., Barone, V., & Amadei, A. (2005). A mean field approach for molecular simulations of fluid systems. THE JOURNAL OF CHEMICAL PHYSICS, 122(15), 1-9. Dettagli
  72. Colombo, G., Daidone, I., Gazit, E., Amadei, A., & Di Nola, A. (2005). Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amyloid polypeptide in explicit water. PROTEINS, 59(3), 519-527. Dettagli
  73. D'Abramo, M., Aschi, M., Di Nola, A., & Amadei, A. (2005). Calculation of the optical rotatory dispersion of solvated alanine by means of the perturbed matrix method. CHEMICAL PHYSICS LETTERS, 402, 559-563. Dettagli
  74. D'Alessandro, M., D'Abramo, M., Paci, M., & Amadei, A. (2005). Theoretical study of the thermodynamics of a solvated peptide: Contryphan Vn. In Physica Scripta T (pp.196-198). STOCKHOLM : ROYAL SWEDISH ACAD SCIENCES. Dettagli
  75. D'Alessandro, M., Marinelli, F., D'Abramo, M., Aschi, M., Di Nola, A., & Amadei, A. (2005). Ground and excited electronic state thermodynamics of aqueous carbon monoxide: A theoretical study. THE JOURNAL OF CHEMICAL PHYSICS, 122(12), 1-6. Dettagli
  76. Daidone, I., Amadei, A., & Di Nola, A. (2005). Thermodynamic and kinetic characterization of a beta-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water. PROTEINS, 59(3), 510-518. Dettagli
  77. Daidone, I., D'Abramo, M., Di Nola, A., & Amadei, A. (2005). Theoretical characterization of alpha-helix and beta-hairpin folding kinetics. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127(42), 14825-14832. Dettagli
  78. Di Teodoro, C., Aschi, M., Amadei, A., Roccatano, D., Malatesta, F., & Ottaviano, L. (2005). Conformational and electronic properties of a microperoxidase in aqueous solution: A computational study. CHEMPHYSCHEM, 6(4), 681-689. Dettagli
  79. Amadei, A., D'Alessandro, M., & Aschi, M. (2004). Statistical mechanical modeling of chemical reactions in complex systems: The reaction free energy surface. JOURNAL OF PHYSICAL CHEMISTRY. B, MATERIALS, SURFACES, INTERFACES, & BIOPHYSICAL, 108(41), 16250-16254. Dettagli
  80. Aschi, M., Zazza, C., Spezia, R., Bossa, C., Di_Nola, A., Paci, M., et al. (2004). Conformational fluctuations and electronic properties in myoglobin. JOURNAL OF COMPUTATIONAL CHEMISTRY, 25(7), 974-984. Dettagli
  81. Bossa, C., Anselmi, M., Roccatano, D., Amadei, A., Vallone, B., Brunori, M., et al. (2004). Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin. BIOPHYSICAL JOURNAL, 86(6), 3855-3862. Dettagli
  82. D'Abramo, M., D'Alessandro, M., & Amadei, A. (2004). On the use of the quasi-Gaussian entropy theory in the study of simulated dilute solutions. THE JOURNAL OF CHEMICAL PHYSICS, 120(11), 5226-5234. Dettagli
  83. D'Alessandro, M., Aschi, M., Paci, M., Nola, A.D., & Amadei, A. (2004). Theoretical modeling of enzyme reaction chemistry: The electron transfer of the reduction mechanism in CuZn superoxide dismutase. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 108(41), 16255-16260. Dettagli
  84. D'Alessandro, M., Paci, M., & Amadei, A. (2004). Characterization of the conformational behavior of peptide contryphan Vn: A theoretical study. BIOPOLYMERS, 74(6), 448-456. Dettagli
  85. Roccatano, D., Di Nola, A., & Amadei, A. (2004). A theoretical model for the folding/unfolding thermodynamics of single-domain proteins, based on the quasi-Gaussian entropy theory. JOURNAL OF PHYSICAL CHEMISTRY. B, MATERIALS, SURFACES, INTERFACES, & BIOPHYSICAL, 108(18), 5756-5762. Dettagli
  86. Spezia, R., Zazza, C., Palma, A., Amadei, A., & Aschi, M. (2004). A DFT study of the low-lying singlet excited states of the all-trans peridinin in vacuo. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, 108(32), 6763-6770. Dettagli
  87. Amadei, A., D'Abramo, M., Zazza, C., & Aschi, M. (2003). Electronic properties of formaldehyde in water: a theoretical study. CHEMICAL PHYSICS LETTERS, 381, 187-193. Dettagli
  88. Cicero, D.O., Melino, S., Orsale, M., Brancato, G., Amadei, A., Forlani, F., et al. (2003). Structural rearrangements of the two domains of Azotobacter vinelandii rhodanese upon sulfane sulfur release: Essential molecular dynamics, 15N NMR relaxation and deuterium exchange on the uniformly labeled protein. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 33, 193-201. Dettagli
  89. D'Alessandro, M., D'Abramo, M., Brancato, G., Di Nola, A., & Amadei, A. (2002). Statistical mechanics and thermodynamics of simulated ionic solutions. JOURNAL OF PHYSICAL CHEMISTRY. B, MATERIALS, SURFACES, INTERFACES, & BIOPHYSICAL, 106(45), 11843-11848. Dettagli
  90. Amadei, A., De Groot, B.L., Ceruso, M.A., Paci, M., Di Nola, A., & Berendsen, H. (1999). A kinetic model for the internal motions of proteins: Diffusion between multiple harmonic wells. PROTEINS, 35(3), 283-292. Dettagli
  91. CHILLEMI, M., FALCONI, M., AMADEI, A., ZIMATORE, G., DESIDERI, A., & DI NOLA, A. (1997). The Essential Dynamics of Cu,Zn superoxide dismutase: Suggestion of intersubunit communication. BIOPHYSICAL JOURNAL, 73, 1007-1018. Dettagli