Andrea Amadei

Qualifica
RICERCATORI / CONFERMATI
Fonte dei dati: Archivio della Ricerca http://art.torvergata.it
  1. Biswas, A.D., Barone, V., Amadei, A., & Daidone, I. (2020). Length-scale dependence of protein hydration-shell density. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. Dettagli
  2. Vieira Pinto, S.M., Tasinato, N., Barone, V., Amadei, A., Zanetti-Polzi, L., & Daidone, I. (2020). Modeling amino-acid side chain infrared spectra: The case of carboxylic residues. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22(5), 3008-3016. Dettagli
  3. Amadei, A., & Aschi, M. (2019). Modelling vibrational relaxation in complex molecular systems. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21(36), 20003-20017. Dettagli
  4. D'Abramo, M., Del Galdo, S., & Amadei, A. (2019). Theoretical-computational modelling of the temperature dependence of the folding-unfolding thermodynamics and kinetics: The case of a trp-cage. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21(41), 23162-23168. Dettagli
  5. Del Galdo, S., Alba, J., Amadei, A., & D'Abramo, M. (2019). Evolutionary Modes in Protein Observable Space: The Case of Thioredoxins. JOURNAL OF MOLECULAR EVOLUTION, 87(4-6), 175-183. Dettagli
  6. Zanetti-Polzi, L., Amadei, A., Djemili, R., Durot, S., Schoepff, L., Heitz, V., et al. (2019). Interpretation of Experimental Soret Bands of Porphyrins in Flexible Covalent Cages and in Their Related Ag(I) Fixed Complexes. JOURNAL OF PHYSICAL CHEMISTRY. C., 123(20), 13094-13103. Dettagli
  7. Amadei, A., & Aschi, M. (2018). Theoretical-computational modeling of charge transfer and intersystem crossing reactions in complex chemical systems. RSC ADVANCES, 8(49), 27900-27918. Dettagli
  8. 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
  9. 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
  10. Davis, C.M., Zanetti-Polzi, L., Gruebele, M., Amadei, A., Dyer, R.B., & Daidone, I. (2018). A quantitative connection of experimental and simulated folding landscapes by vibrational spectroscopy. CHEMICAL SCIENCE, 9(48), 9002-9011. Dettagli
  11. Del Galdo, S., Mancini, G., Daidone, I., Zanetti Polzi, L., Amadei, A., & Barone, V. (2018). Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties. JOURNAL OF COMPUTATIONAL CHEMISTRY, 39(22), 1747-1756. Dettagli
  12. Zanetti-Polzi, L., Del Galdo, S., Daidone, I., D'Abramo, M., Barone, V., Aschi, M., et al. (2018). Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20(37), 24369-24378. Dettagli
  13. 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
  14. 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
  15. Zanetti-Polzi, L., Aschi, M., Daidone, I., & Amadei, A. (2017). Theoretical modeling of the absorption spectrum of aqueous riboflavin. CHEMICAL PHYSICS LETTERS, 669, 119-124. Dettagli
  16. 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
  17. Aschi, M., Barone, V., Carlotti, B., Daidone, I., Elisei, F., & Amadei, A. (2016). Photoexcitation and relaxation kinetics of molecular systems in solution: towards a complete in silico model. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(41), 28919-28931. Dettagli
  18. Aschi, M., D'Abramo, M., & Amadei, A. (2016). Photoinduced electron transfer in a dichromophoric peptide: a numerical experiment. THEORETICAL CHEMISTRY ACCOUNTS, 135(5). Dettagli
  19. Daidone, I., Zanetti-Polzi, L., Thukral, L., Alekozai, E.M., & Amadei, A. (2016). Theoretical-computational characterization of the temperature-dependent folding thermodynamics of a β-hairpin peptide. CHEMICAL PHYSICS LETTERS, 659, 247-251. Dettagli
  20. Del Galdo, S., & Amadei, A. (2016). The unfolding effects on the protein hydration shell and partial molar volume: A computational study. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(40), 28175-28182. Dettagli
  21. Del Galdo, S., Aschi, M., & Amadei, A. (2016). In silico characterization of bimolecular electron transfer reactions: The ferrocene–ferrocenium reaction as a test case. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 116(22), 1723-1730. Dettagli
  22. Zanetti-Polzi, L., Corni, S., Daidone, I., & Amadei, A. (2016). Extending the essential dynamics analysis to investigate molecular properties: Application to the redox potential of proteins. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(27), 18450-18459. Dettagli
  23. Amadei, A., & Marracino, P. (2015). Theoretical-computational modelling of the electric field effects on protein unfolding thermodynamics. RSC ADVANCES, 5(117), 96551-96561. Dettagli
  24. D'Abramo, M., Aschi, M., & Amadei, A. (2015). Theoretical calculation of the pyrene emission properties in different solvents. CHEMICAL PHYSICS LETTERS, 639, 17-22. Dettagli
  25. D'Alessando, M., Amadei, A., Stener, M., & Aschi, M. (2015). Essential dynamics for the study of microstructures in liquids. JOURNAL OF COMPUTATIONAL CHEMISTRY, 36(6), 399-407. Dettagli
  26. Daidone, I., Thukral, L., Smith, J.C., & Amadei, A. (2015). Monitoring the Folding Kinetics of a β-Hairpin by Time-Resolved IR Spectroscopy in Silico. THE JOURNAL OF PHYSICAL CHEMISTRY. B, 119(14), 4849-4856. Dettagli
  27. Del Galdo, S., Marracino, P., D'Abramo, M., & Amadei, A. (2015). In silico characterization of protein partial molecular volumes and hydration shells. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17(46), 31270-31277. Dettagli
  28. Zanetti-Polzi, L., Bortolotti, C.A., Daidone, I., Aschi, M., Amadei, A., & Corni, S. (2015). A few key residues determine the high redox potential shift in azurin mutants. ORGANIC & BIOMOLECULAR CHEMISTRY, 13(45), 11003-11013. Dettagli
  29. Besker, N., Amadei, A., & D'Abramo, M. (2014). Molecular mechanisms of activation in CDK2. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 32(12), 1929-1935. Dettagli
  30. 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
  31. 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
  32. 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
  33. 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
  34. 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
  35. 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
  36. 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
  37. 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
  38. 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
  39. 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
  40. 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
  41. 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
  42. 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
  43. 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
  44. 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
  45. 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
  46. 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
  47. Daidone, I., & Amadei, A. (2012). Essential dynamics: foundation and applications. WILEY INTERDISCIPLINARY REVIEWS. COMPUTATIONAL MOLECULAR SCIENCE, 2(5), 762-770. Dettagli
  48. 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
  49. 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
  50. 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
  51. 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
  52. 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
  53. 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
  54. 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
  55. 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
  56. 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
  57. 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
  58. 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
  59. 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
  60. 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
  61. 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
  62. 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
  63. 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
  64. 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
  65. 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
  66. 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
  67. 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
  68. 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
  69. 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
  70. 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
  71. 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
  72. 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
  73. 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
  74. 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
  75. 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
  76. 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
  77. 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
  78. 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
  79. 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
  80. 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
  81. 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
  82. 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, 104(39), 15230-15235. Dettagli
  83. 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
  84. 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
  85. 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
  86. 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
  87. 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
  88. 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
  89. 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
  90. 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
  91. 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
  92. 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
  93. 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
  94. 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
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