AMADEI, ANDREA
AMADEI, ANDREA
Dipartimento di Scienze fisiche e chimiche
Theoretical–Computational Modeling of CD Spectra of Aqueous Monosaccharides by Means of Molecular Dynamics Simulations and Perturbed Matrix Method
2023-01-01 Aschi, M.; Palombi, L.; Amadei, A.
Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin
2023-01-01 Zanetti-Polzi, L.; Daidone, I.; Iacobucci, C.; Amadei, A.
Theoretical-Computational Modeling of Gas-State Thermodynamics in Flexible Molecular Systems: Ionic Liquids in the Gas Phase as a Case Study
2022-01-01 Amadei, A.; Ciccioli, A.; Filippi, A.; Fraschetti, C.; Aschi, M.
A general statistical mechanical model for fluid system thermodynamics: Application to sub- and super-critical water
2022-01-01 Zanetti-Polzi, L.; Daidone, I.; Amadei, A.
Segregation on the nanoscale coupled to liquid water polyamorphism in supercooled aqueous ionic-liquid solution
2021-01-01 Zanetti-Polzi, L.; Amadei, A.; Daidone, I.
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues
2020-01-01 Vieira Pinto, S. M.; Tasinato, N.; Barone, V.; Amadei, A.; Zanetti-Polzi, L.; Daidone, I.
Length-scale dependence of protein hydration-shell density
2020-01-01 Biswas, A. D.; Barone, V.; Amadei, A.; Daidone, I.
Fully Atomistic Multiscale Approach for pKa Prediction
2020-01-01 Zanetti-Polzi, L.; Daidone, I.; Amadei, A.
Interpretation of Experimental Soret Bands of Porphyrins in Flexible Covalent Cages and in Their Related Ag(I) Fixed Complexes
2019-01-01 Zanetti-Polzi, L.; Amadei, A.; Djemili, R.; Durot, S.; Schoepff, L.; Heitz, V.; Ventura, B.; Daidone, I.
Modelling vibrational relaxation in complex molecular systems
2019-01-01 Amadei, A.; Aschi, M.
Theoretical-computational modeling of charge transfer and intersystem crossing reactions in complex chemical systems
2018-01-01 Amadei, A.; Aschi, M.
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory
2018-01-01 Zanetti-Polzi, Laura; Del Galdo, Sara; Daidone, Isabella; D'Abramo, Marco; Barone, Vincenzo; Aschi, Massimiliano; Amadei, Andrea
A quantitative connection of experimental and simulated folding landscapes by vibrational spectroscopy
2018-01-01 Davis, Caitlin M.; Zanetti-Polzi, Laura; Gruebele, Martin; Amadei, Andrea; Dyer, R. Brian; Daidone, Isabella
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties
2018-01-01 Del Galdo, Sara; Mancini, Giordano; Daidone, Isabella; Zanetti Polzi, Laura; Amadei, Andrea; Barone, Vincenzo
Photoexcitation and relaxation kinetics of molecular systems in solution: Towards a complete: In silico model
2016-01-01 Aschi, M.; Barone, V.; Carlotti, B.; Daidone, I.; Elisei, F.; Amadei, A.