DAIDONE, ISABELLA
DAIDONE, ISABELLA
Dipartimento di Scienze fisiche e chimiche
A general statistical mechanical approach for modeling redox thermodynamics: the reaction and reorganization free energies
2013-01-01 Amadei, A; Daidone, Isabella; Bortolotti, Ca
A molecular dynamics study of acylphosphatase in aggregation-promoting conditions: The influence of trifluoroethanol/water solvent
2004-01-01 Flöck, D; Daidone, Isabella; Di Nola, A.
A Theoretical Reappraisal of Polylysine in the Investigation of Secondary Structure Sensitivity of Infrared Spectra
2012-01-01 Zanetti Polzi, L; Daidone, Isabella; Amadei, A.
Aggregation of small peptides studied by molecular dynamics simulations
2006-01-01 Flöck, D; Rossetti, G; Daidone, Isabella; Amadei, A; Di Nola, A.
Allosteric Control of Naphthalene Diimide Encapsulation and Electron Transfer in Porphyrin Containers: Photophysical Studies and Molecular Dynamics Simulation
2020-01-01 Zanetti-Polzi, L.; Djemili, R.; Durot, S.; Heitz, V.; Daidone, I.; Ventura, B.
Alteration of Water Structure by Peptide Clusters Revealed by Neutron Scattering in the Small-Angle Region (below 1 Å−1)
2012-01-01 Daidone, Isabella; Iacobucci, C; Mclain, Se; Smith, Jc
Alternative Electron-Transfer Channels Ensure Ultrafast Deactivation of Light-Induced Excited States in Riboflavin Binding Protein
2017-01-01 Zanetti-Polzi, Laura; Aschi, Massimiliano; Amadei, Andrea; Daidone, Isabella
Analysis of Infrared Spectra of beta-Hairpin Peptides As Derived from Molecular Dynamics Simulations
2011-01-01 Zanetti Polzi, L; Daidone, Isabella; Anselmi, M; Carchini, G; Di Nola, A; Amadei, A.
beta-hairpin conformation of fibrillogenic peptides: Structure and alpha-beta transition mechanism revealed by molecular dynamics simulations
2004-01-01 Daidone, Isabella; Simona, F; Roccatano, D; Broglia, Ra; Tiana, G; Colombo, G; Di Nola, A.
Charge-Based Interactions between Peptides Observed as the Dominant Force for Association in Aqueous Solution
2008-01-01 Mclain, Se; Soper, Ak; Daidone, Isabella; Smith, Jc; Watts, A.
Common Folding Mechanism of a beta-Hairpin Peptide via Non-native Turn Formation Revealed by Unbiased Molecular Dynamics Simulations
2009-01-01 Thukral, L; Smith, Jc; Daidone, Isabella
Computational evidence support the hypothesis of neuroglobin also acting as an electron transfer species
2017-01-01 Paltrinieri, Licia; Di Rocco, Giulia; Battistuzzi, Gianantonio; Borsari, Marco; Sola, Marco; Ranieri, Antonio; Zanetti-Polzi, Laura; Daidone, Isabella; Bortolotti, Carlo Augusto
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures
2021-01-01 Pinto, S. M. V.; Tasinato, N.; Barone, V.; Zanetti-Polzi, L.; Daidone, I.
Computational investigation of the electron transfer complex between neuroglobin and cytochrome c
2017-01-01 Zanetti Polzi, Laura; Battistuzzi, Gianantonio; Borsari, Marco; Pignataro, Marcello; Paltrinieri, Licia; Daidone, Isabella; Bortolotti, Carlo Augusto
Configurational subdiffusion of peptides: A network study
2011-01-01 Neusius, T; Daidone, Isabella; Sokolov, Im; Smith, Jc
Conformational Change in the Mechanism of Inclusion of Ketoprofen in β-Cyclodextrin: NMR Spectroscopy, Ab Initio Calculations, Molecular Dynamics Simulations, and Photoreactivity
2016-01-01 Guzzo, T; Mandaliti, W.; Nepravishta, R.; Aramini, A.; Bodo, E.; Daidone, Isabella; Allegretti, M.; Topai, A.; Paci, M.
Conformational study of bovine lactoferricin in membrane-micking conditions by molecular dynamics simulation and circular dichroism RID A-2126-2010
2011-01-01 Daidone, Isabella; Magliano, A; Di Nola, A; Mignogna, G; Clarkson, Mm; Lizzi, Ar; Oratore, A; Mazza, F.
Cooperative protein-solvent tuning of proton transfer energetics: Carbonic anhydrase as a case study
2020-01-01 Zanetti-Polzi, L.; Aschi, M.; Daidone, I.
Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding
2007-01-01 Daidone, Isabella; Ulmschneider, Mb; Di Nola, A; Amadei, A; Smith, Jc
Difference mid-IR nanospectroscopy on individual patches of purple membranes: The proton pump activity of bacteriorhodopsin at the nanoscale
2019-01-01 Giliberti, V.; Polito, R.; Ritter, E.; Broser, M.; Hegemann, P.; Puskar, L.; Schade, U.; Zanetti-Polzi, L.; Daidone, I.; Corni, S.; Rusconi, F.; Biagioni, P.; Baldassarre, L.; Ortolani, M.