Sfoglia per Autore
Theoretical-computational modelling of infrared spectra in peptides and proteins: a new frontier for combined theoretical-experimental investigations
2010-01-01 Amadei, A; Daidone, Isabella; Di Nola, A; Aschi, Massimiliano
Mechanism of DNA Recognition by the Restriction Enzyme EcoRV
2010-01-01 Zahran, M; Daidone, Isabella; Smith, Jc; Imhof, P.
Hydrogen-Bond Driven Loop-Closure Kinetics in Unfolded Polypeptide Chains
2010-01-01 Daidone, Isabella; Neuweiler, H; Doose, S; Sauer, M; Smith, Jc
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.
Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experiments
2011-01-01 Noé, F; Doose, S; Daidone, Isabella; Löllmann, M; Sauer, M; Chodera, Jd; Smith, Jc
Modeling quantum vibrational excitations in condensed phase molecular systems
2011-01-01 Amadei, A.; Daidone, Isabella; Zanetti Polzi, L.; Aschi, Massimiliano
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.
New Insight into the IR-Spectra/Structure Relationship in Amyloid Fibrils: A Theoretical Study on a Prion Peptide
2011-01-01 Zanetti Polzi, L; Amadei, A; Aschi, Massimiliano; Daidone, Isabella
Structured Pathway across the Transition State for Peptide Folding Revealed by Molecular Dynamics Simulations
2011-01-01 Thukral, L; Daidone, Isabella; Smith, Jc
Molecular Origin of Gerstmann-Straussler-Scheinker Syndrome: Insight from Computer Simulation of an Amyloidogenic Prion Peptide
2011-01-01 Daidone, Isabella; Di Nola, A; Smith, Jc
Configurational subdiffusion of peptides: A network study
2011-01-01 Neusius, T; Daidone, Isabella; Sokolov, Im; Smith, Jc
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.
Essential dynamics: foundation and applications
2012-01-01 Daidone, Isabella; Amadei, A.
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
A general theoretical model for electron transfer reactions in complex systems
2012-01-01 Amadei, A; Daidone, Isabella; Aschi, Massimiliano
The Reversible Opening of Water Channels in Cytochrome c Modulates the Heme Iron Reduction Potential
2012-01-01 Bortolotti, Ca; Amadei, A; Aschi, Massimiliano; Borsari, M; Corni, S; Sola, M; Daidone, Isabella
A general statistical mechanical approach for modeling redox thermodynamics: the reaction and reorganization free energies
2013-01-01 Amadei, A; Daidone, Isabella; Bortolotti, Ca
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
2013-01-01 D'Alessandro, M; Amadei, A; Daidone, Isabella; Po, R; Aessi, A.; Aschi, Massimiliano
Structural and dynamical properties of KTS-disintegrins: a comparison between Obtustatin and Lebestatin
2013-01-01 Daidone, Isabella; Aschi, Massimiliano; Patamia, M; Bozzi, Argante; Petruzzelli, R.
Structure and solvation properties of aqueous sulfobetaine micelles in the presence of organic spin probes: a Molecular Dynamics simulation study
2013-01-01 Di Giampaolo, A; Cerichelli, Giorgio; Chiarini, M; Daidone, Isabella; Aschi, Massimiliano
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