Sfoglia per Autore
Selective excitation of native fluctuations during thermal unfolding simulations: Horse heart cytochrome c as a case study RID C-5164-2009
2003-01-01 Roccatano, D; Daidone, Isabella; Ceruso, Ma; Bossa, C; Di Nola, A.
Molecular dynamics simulation of protein folding by essential dynamics sampling: Folding landscape of horse heart cytochrome c
2003-01-01 Daidone, Isabella; Amadei, A; Roccatano, D; Di Nola, A.
beta-hairpin conformation of fibrillogenic peptides: Structure and alpha-beta transition mechanism revealed by molecular dynamics simulations
2004-01-01 Daidone, Isabella; Simona, F; Roccatano, D; Broglia, Ra; Tiana, G; Colombo, G; Di Nola, A.
A molecular dynamics study of acylphosphatase in aggregation-promoting conditions: The influence of trifluoroethanol/water solvent
2004-01-01 Flöck, D; Daidone, Isabella; Di Nola, A.
Investigating the accessibility of the closed domain conformation of citrate synthase using essential dynamics sampling
2004-01-01 Daidone, Isabella; Roccatano, D; Hayward, S.
Theoretical characterization of alpha-helix and beta-hairpin folding kinetics RID B-7035-2008
2005-01-01 Daidone, Isabella; D'Abramo, M; Di Nola, A; Amadei, A.
Thermodynamic and kinetic characterization of a beta-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water
2005-01-01 Daidone, Isabella; Amadei, A; Di Nola, A.
Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amylolid polypeptide in explicit water RID C-3715-2011
2005-01-01 Colombo, G; Daidone, Isabella; Gazit, E; Amadei, A; Di Nola, A.
Molecular dynamics simulation of sperm whale myoglobin: Effects of mutations and trapped CO on the structure and dynamics of cavities
2005-01-01 Bossa, C; Amadei, A; Daidone, Isabella; Anselmi, M; Vallone, B; Brunori, M; Di Nola, A.
Aggregation of small peptides studied by molecular dynamics simulations
2006-01-01 Flöck, D; Rossetti, G; Daidone, Isabella; Amadei, A; Di Nola, A.
Theoretical modeling of chemical reactions in complex environments: The intramolecular proton transfer in aqueous malonaldehyde
2006-01-01 Aschi, Massimiliano; D'Abramo, M; Ramondo, F; Daidone, Isabella; D'Alessandro, M; Di Nola, A; Amadei, A.
Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the haem carbon monoxide binding-unbinding reaction in myoglobin
2007-01-01 Amadei, A; D'Abramo, M; Daidone, Isabella; D'Alessandro, M; Di Nola, A; Aschi, Massimiliano
Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding
2007-01-01 Daidone, Isabella; Ulmschneider, Mb; Di Nola, A; Amadei, A; Smith, Jc
Subdiffusion in peptides originates from the fractal-like structure of configuration space
2008-01-01 Neusius, T; Daidone, Isabella; Sokolov, Im; Smith, Jc
Solvent electrostriction-driven peptide folding revealed by quasi-Gaussian entropy theory and molecular dynamics simulation
2008-01-01 Noé, F; Daidone, Isabella; Smith, Jc; Di Nola, A; Amadei, A.
Charge-Based Interactions between Peptides Observed as the Dominant Force for Association in Aqueous Solution
2008-01-01 Mclain, Se; Soper, Ak; Daidone, Isabella; Smith, Jc; Watts, A.
Protein Folding Pathways Revealed by Essential Dynamics Sampling
2008-01-01 Narzi, D; Daidone, Isabella; Amadei, A; Di Nola, A.
Common Folding Mechanism of a beta-Hairpin Peptide via Non-native Turn Formation Revealed by Unbiased Molecular Dynamics Simulations
2009-01-01 Thukral, L; Smith, Jc; Daidone, Isabella
Instantaneous Normal Modes and the Protein Glass Transition RID A-1868-2010
2009-01-01 Schulz, R; Krishnan, M; Daidone, Isabella; Smith, Jc
Mechanism of DNA Recognition by the Restriction Enzyme EcoRV
2010-01-01 Zahran, M; Daidone, Isabella; Smith, Jc; Imhof, P.
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile