Essential dynamics: foundation and applications von Daidone, Isabella, Amadei, Andrea

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Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases von Nardi, Alessandro Nicola, D’Abramo, Marco, Amadei, Andrea

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Theoretical-Computational Modeling of CD Spectra of Aqueous Monosaccharides by Means of Molecular Dynamics Simulations and Perturbed Matrix Method von Aschi, Massimiliano, Palombi, Laura, Amadei, Andrea

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The unfolding effects on the protein hydration shell and partial molar volume: a computational study von Del Galdo, Sara, Amadei, Andrea

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A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole von Chen, Cheng Giuseppe, Aschi, Massimiliano, D'Abramo, Marco, Amadei, Andrea

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Theoretical-Computational Modeling of Gas-State Thermodynamics in Flexible Molecular Systems: Ionic Liquids in the Gas Phase as a Case Study von Amadei, Andrea, Ciccioli, Andrea, Filippi, Antonello, Fraschetti, Caterina, Aschi, Massimiliano

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Theoretical Modeling of Redox Potentials of Biomolecules von Chen, Cheng Giuseppe, Nardi, Alessandro Nicola, Amadei, Andrea, D'Abramo, Marco

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Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis von Nardi, Alessandro Nicola, Olivieri, Alessio, Amadei, Andrea, Salvio, Riccardo, D'Abramo, Marco

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Effect of High Exogenous Electric Pulses on Protein Conformation: Myoglobin as a Case Study von Marracino, Paolo, Apollonio, Francesca, Liberti, Micaela, d’Inzeo, Guglielmo, Amadei, Andrea

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Length-scale dependence of protein hydration-shell density von Biswas, Akash Deep, Barone, Vincenzo, Amadei, Andrea, Daidone, Isabella

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Theoretical-computational modelling of the vibrational relaxation of small inorganic species in condensed phase von Amadei, Andrea, Aschi, Massimiliano

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Modeling amino-acid side chain infrared spectra: the case of carboxylic residues von Vieira Pinto, Sandra Mónica, Tasinato, Nicola, Barone, Vincenzo, Amadei, Andrea, Zanetti-Polzi, Laura, Daidone, Isabella

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On the Statistical Regime, Coherence versus Incoherence and Ergodicity of Quantum Vibrational Trajectories in Soft Condensed Molecular Systems von Amadei, Andrea, Aschi, Massimiliano

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Stationary and Time-Dependent Carbon Monoxide Stretching Mode Features in Carboxy Myoglobin: A Theoretical–Computational Reappraisal von Amadei, Andrea, Aschi, Massimiliano

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How the Reorganization Free Energy Affects the Reduction Potential of Structurally Homologous Cytochromes von Daidone, Isabella, Amadei, Andrea, Zaccanti, Francesco, Borsari, Marco, Bortolotti, Carlo Augusto

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On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations von Amadei, Andrea, Ceruso, Marc A., Di Nola, Alfredo

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Exploring the EU plastic value chain: A material flow analysis von Amadei, Andrea Martino, Rigamonti, Lucia, Sala, Serenella

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Modelling vibrational relaxation in complex molecular systems von Amadei, Andrea, Aschi, Massimiliano

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The evolution of life cycle assessment in European policies over three decades von Sala, Serenella, Amadei, Andrea Martino, Beylot, Antoine, Ardente, Fulvio

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Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding von Daidone, Isabella, Ulmschneider, Martin B, Di Nola, Alfredo, Amadei, Andrea, Smith, Jeremy C

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