alfredo di nola
alfredo di nola
universitÓ Sapienza Roma
Verified email at dinola.it
Title
Cited by
Cited by
Year
Molecular dynamics with coupling to an external bath
JR Berendsen, H.J.C., Postma, J.P.M., Van Gunsteren, W.F., Dinola, A., Haak
The Journal of Chemical Physics 81 (8), 3684, 1984
239801984
On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations
A Amadei, MA Ceruso, A Di Nola
Proteins: Structure, Function, and Bioinformatics 36 (4), 419-424, 1999
2811999
Properties of integral membrane protein structures: derivation of an implicit membrane potential
MB Ulmschneider, MSP Sansom, A Di Nola
Proteins: Structure, Function, and Bioinformatics 59 (2), 252-265, 2005
2122005
Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation
M Mangoni, D Roccatano, A Di Nola
Proteins: Structure, Function, and Bioinformatics 35 (2), 153-162, 1999
1721999
Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin
C Bossa, M Anselmi, D Roccatano, A Amadei, B Vallone, M Brunori, ...
Biophysical journal 86 (6), 3855-3862, 2004
1492004
An extended x‐ray absorption fine structure study of aqueous solutions by employing molecular dynamics simulations
P D’Angelo, A Di Nola, A Filipponi, NV Pavel, D Roccatano
The Journal of chemical physics 100 (2), 985-994, 1994
1451994
Free energy determination of polypeptide conformations generated by molecular dynamics
A Di Nola, HJC Berendsen, O Edholm
Macromolecules 17 (10), 2044-2050, 1984
1441984
A molecular dynamics study of the 41–56 β-hairpin from B1 domain of protein G
D Roccatano, A Amadei, A Di Nola, HJC Berendsen
Protein science 8 (10), 2130-2143, 1999
1331999
Molecular dynamics simulation of the docking of substrates to proteins
A Di Nola, D Roccatano, HJC Berendsen
Proteins: Structure, Function, and Bioinformatics 19 (3), 174-182, 1994
1311994
β‐Hairpin conformation of fibrillogenic peptides: Structure and α‐β transition mechanism revealed by molecular dynamics simulations
I Daidone, F Simona, D Roccatano, RA Broglia, G Tiana, G Colombo, ...
Proteins: Structure, Function, and Bioinformatics 57 (1), 198-204, 2004
1102004
Molecular dynamics simulations with constrained roto-translational motions: theoretical basis and statistical mechanical consistency
A Amadei, G Chillemi, MA Ceruso, A Grottesi, A Di Nola
The Journal of Chemical Physics 112 (1), 9-23, 2000
1072000
A first-principles method to model perturbed electronic wavefunctions: the effect of an external homogeneous electric field
M Aschi, R Spezia, A Di Nola, A Amadei
Chemical physics letters 344 (3-4), 374-380, 2001
1042001
Molecular dynamics simulation of sperm whale myoglobin: effects of mutations and trapped CO on the structure and dynamics of cavities
C Bossa, A Amadei, I Daidone, M Anselmi, B Vallone, M Brunori, ...
Biophysical journal 89 (1), 465-474, 2005
1032005
A generalized Born implicit-membrane representation compared to experimental insertion free energies
MB Ulmschneider, JP Ulmschneider, MSP Sansom, A Di Nola
Biophysical journal 92 (7), 2338-2349, 2007
892007
A kinetic model for the internal motions of proteins: diffusion between multiple harmonic wells
A Amadei, BL De Groot, MA Ceruso, M Paci, A Di Nola, HJC Berendsen
Proteins: Structure, Function, and Bioinformatics 35 (3), 283-292, 1999
831999
Molecular dynamics study of a hyperthermophilic and a mesophilic rubredoxin
A Grottesi, MA Ceruso, A Colosimo, A Di Nola
Proteins: Structure, Function, and Bioinformatics 46 (3), 287-294, 2002
792002
Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding
I Daidone, MB Ulmschneider, A Di Nola, A Amadei, JC Smith
Proceedings of the National Academy of Sciences 104 (39), 15230-15235, 2007
752007
Molecular dynamics simulation of protein folding by essential dynamics sampling: folding landscape of horse heart cytochrome c
I Daidone, A Amadei, D Roccatano, A Di Nola
Biophysical journal 85 (5), 2865-2871, 2003
652003
Misfolding of the amyloid β‐protein: A molecular dynamics study
D Fl÷ck, S Colacino, G Colombo, A Di Nola
Proteins: Structure, Function, and Bioinformatics 62 (1), 183-192, 2006
642006
Evaluating tilt angles of membrane-associated helices: comparison of computational and NMR techniques
MB Ulmschneider, MSP Sansom, A Di Nola
Biophysical journal 90 (5), 1650-1660, 2006
592006
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