| 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 | 53713* | 1984 |
| 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 | 362 | 1999 |
| 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 | 249 | 2005 |
| 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 | 200 | 1999 |
| 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 | 166 | 1994 |
| 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 | 162 | 1994 |
| Free energy determination of polypeptide conformations generated by molecular dynamics A Di Nola, HJC Berendsen, O Edholm Macromolecules 17 (10), 2044-2050, 1984 | 158 | 1984 |
| 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 | 156 | 2004 |
| 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 | 141 | 1999 |
| 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 | 138 | 2001 |
| 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 | 114 | 2000 |
| 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 | 113 | 2004 |
| 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 | 109 | 2005 |
| 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 | 96 | 1999 |
| 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 | 95 | 2007 |
| 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 | 88 | 2003 |
| 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 | 86 | 2002 |
| 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 | 82 | 2007 |
| Monte Carlo vs molecular dynamics for all-atom polypeptide folding simulations JP Ulmschneider, MB Ulmschneider, A Di Nola The Journal of Physical Chemistry B 110 (33), 16733-16742, 2006 | 75 | 2006 |
| 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 | 70 | 2006 |
