Sfoglia per Autore
The Essential Dynamics of Cu,Zn superoxide dismutase: Suggestion of intersubunit communication
1997-01-01 Chillemi, M; Falconi, M; Amadei, A; Zimatore, G; Desideri, A; DI NOLA, A
A kinetic model for the internal motions of proteins: Diffusion between multiple harmonic wells
1999-01-01 Amadei, A; De Groot, B; Ceruso, M; Paci, M; Di Nola, A; Berendsen, H
Statistical mechanics and thermodynamics of simulated ionic solutions
2002-01-01 D'Alessandro, M; D'Abramo, M; Brancato, G; Di Nola, A; Amadei, A
Structural rearrangements of the two domains of Azotobacter vinelandii rhodanese upon sulfane sulfur release: Essential molecular dynamics, 15N NMR relaxation and deuterium exchange on the uniformly labeled protein
2003-01-01 Cicero, Do; Melino, Sm; Orsale, M; Brancato, G; Amadei, A; Forlani, F; Pagani, S; Paci, M
Molecular dynamics simulation of protein folding by essential dynamics sampling: folding landscape of horse heart cytochrome c
2003-01-01 Daidone, I; Amadei, A; Roccatano, D; Di Nola, A
Electronic properties of formaldehyde in water: a theoretical study
2003-01-01 Amadei, A; D'Abramo, M; Zazza, C; Aschi, M
Conformational fluctuations and electronic properties in myoglobin
2004-01-01 Aschi, M; Zazza, C; Spezia, R; Bossa, C; Di_nola, A; Paci, M; Amadei, A
Characterization of the conformational behavior of peptide contryphan Vn: A theoretical study
2004-01-01 D'Alessandro, M; Paci, M; Amadei, A
Statistical mechanical modeling of chemical reactions in complex systems: The reaction free energy surface
2004-01-01 Amadei, A; D'Alessandro, M; Aschi, M
On the use of the quasi-Gaussian entropy theory in the study of simulated dilute solutions
2004-01-01 D'Abramo, M; D'Alessandro, M; Amadei, A
Theoretical modeling of enzyme reaction chemistry: The electron transfer of the reduction mechanism in CuZn superoxide dismutase
2004-01-01 D'Alessandro, M; Aschi, M; Paci, M; Nola, A; Amadei, A
Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin
2004-01-01 Bossa, C; Anselmi, M; Roccatano, D; Amadei, A; Vallone, B; Brunori, M; Di Nola, A
A theoretical model for the folding/unfolding thermodynamics of single-domain proteins, based on the quasi-Gaussian entropy theory
2004-01-01 Roccatano, D; Di Nola, A; Amadei, A
A DFT study of the low-lying singlet excited states of the all-trans peridinin in vacuo
2004-01-01 Spezia, R; Zazza, C; Palma, A; Amadei, A; Aschi, M
Theoretical study of the thermodynamics of a solvated peptide: Contryphan Vn
2005-01-01 D'Alessandro, M; D'Abramo, M; Paci, M; Amadei, A
Calculation of the optical rotatory dispersion of solvated alanine by means of the perturbed matrix method
2005-01-01 D'Abramo, M; Aschi, M; Di Nola, A; Amadei, A
Theoretical characterisation of the electronic excitation in liquid water
2005-01-01 Aschi, M; D'Abramo, M; Di Teodoro, C; Di Nola, A; Amadei, A
Theoretical characterization of alpha-helix and beta-hairpin folding kinetics
2005-01-01 Daidone, I; D'Abramo, M; Di Nola, A; Amadei, A
Ground and excited electronic state thermodynamics of aqueous carbon monoxide: A theoretical study
2005-01-01 D'Alessandro, M; Marinelli, F; D'Abramo, M; Aschi, M; Di Nola, A; Amadei, A
Theoretical modeling of vibroelectronic quantum states in complex molecular systems: Solvated carbon monoxide, a test case
2005-01-01 Amadei, A; Marinelli, F; D'Abramo, M; D'Alessandro, M; Anselmi, M; Di Nola, A; Aschi, M
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