AMADEI, andrea
AMADEI, andrea
A first principles polarizable water model for molecular simulations: application to a water dimer
2002 Amadei, Andrea; Aschi, Massimiliano; Spezia, Riccardo; DI NOLA, Alfredo
Calculation of the Optical Rotatory Dispersion of solvated alanine by means of the Perturbed Matrix Method
2005 D'Abramo, Marco; Aschi, Massimiliano; DI NOLA, Alfredo; Amadei, Andrea
Characterization of liquid behaviour by means of local density fluctuations
2005 D'Abramo, Marco; D'Alessandro, Maira; DI NOLA, Alfredo; Roccatano, Danilo; Amadei, Andrea
Charge transfer equilibria of aqueous single stranded DNA
2009 D'Abramo, Marco; Aschi, Massimiliano; Amadei, Andrea
Computational Modeling of the Thermodynamics of the Mesophilic and Thermophilic Mutants of Trp-Cage Miniprotein
2022 Bo, L.; Milanetti, E.; Chen, C. G.; Ruocco, G.; Amadei, A.; D'Abramo, M.
Conformational behaviour of Temporin A and Temporin L in aqueous solution: a computational/experimental study
2006 D'Abramo, Marco; Rinaldi, Andrea C.; Bozzi, Argante; Mignogna, Giuseppina; DI NOLA, Alfredo; Amadei, Andrea; Aschi, Massimiliano
Electronic properties of Formaldehyde in water: a theoretical study
2003 Amadei, Andrea; D'Abramo, Marco; Zazza, Costantino; Aschi, Massimiliano
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory
2018 ZANETTI POLZI, Laura; Del Galdo, Sara; Daidone, Isabella; D'Abramo, Marco; Barone, Vincenzo; Aschi, Massimiliano; Amadei, Andrea
Ground and excited electronic state thermodynamics of aqueous carbon monixide: a theoretical study
2005 D'Alessandro, Maira; Marinelli, Fabrizio; D'Abramo, Marco; Aschi, Massimiliano; DI NOLA, Alfredo; Amadei, Andrea
In silico characterization of protein partial molecular volumes and hydration shells
2015 Del Galdo, Sara; Marracino, Paolo; D'Abramo, Marco; Amadei, Andrea
In vitro preferential topoisomerization of bent DNA.
1989 Caserta, M; Amadei, Andrea; DI MAURO, Ernesto; Camilloni, Giorgio
Intramolecular charge transfer in π-conjugated oligomers: a theoretical study on the effect of temperature and oxidation state
2008 Aschi, Massimiliano; D'Alessandro, Maira; Pellegrino, Monica; DI NOLA, Alfredo; D'Abramo, Marco; Amadei, Andrea
Kinetics of Carbon Monoxide Migration and Binding in Solvated Myoglobin as Revealed by Molecular Dynamics Simulations and Quantum Mechanical Calculations
2009 D'Abramo, Marco; DI NOLA, Alfredo; Amadei, Andrea
Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases
2022 Nardi, Alessandro Nicola; D'Abramo, Marco; Amadei, Andrea
Modeling the temperature dependence of the fluorescence properties of Indole in aqueous solution
2024 Chen, CHENG GIUSEPPE; Amadei, Andrea; D’Abramo, Marco
Molecular mechanisms of activation in CDK2
2014 Bešker, Neva; Amadei, Andrea; D'Abramo, Marco
On the importance of configurational sampling in theoretical calculation of electronic properties of complex molecular systems: acetone in water
2006 D'Abramo, Marco; Aschi, Massimiliano; DI NOLA, Alfredo; Amadei, Andrea
On the use of the quasi Gaussian entropy theory in the study of simulated dilute solutions.
2004 D'Abramo, Marco; D'Alessandro, Maira; Amadei, Andrea
On the use of the quasi-gaussian entropy theory in systems of polyatomic flexible molecules
2001 Amadei, Andrea; B., Iacono; S., Grego; G., Chillemi; M. E. F., Apol; E., Paci; Delfini, Maurizio; DI NOLA, Alfredo
Photoinduced electron transfer in a dichromophoric peptide: a numerical experiment
2016 Aschi, Massimiliano; D'Abramo, Marco; Amadei, Andrea